Ethyl 2-aminothiazole-4-carboxylate (HCID 73216)

이름 및 식별자

우선 이름: Ethyl 2-aminothiazole-4-carboxylate
IUPAC: ethyl 2-amino-1,3-thiazole-4-carboxylate
영어명: Ethyl 2-amino-1,3-thiazole-4-carboxylate
분자식: C6H8N2O2S
분자량: 172.2

이름 및 동의어

Ethyl 2-aminothiazole-4-carboxylateethyl 2-amino-1,3-thiazole-4-carboxylateRefChem:594217Ethyl 2amino4thiazolecarboxylateEthyl 2amino1,3thiazole4carboxylate4Thiazolecarboxylic acid, 2amino, ethyl ester611-074-45398-36-7Ethyl 2-amino-4-thiazolecarboxylate2-Amino-thiazole-4-carboxylic acid ethyl esterMFCD006190794-Thiazolecarboxylic acid, 2-amino-, ethyl ester

이름 더 보기

2-aminothiazole-4-carboxylateETHYL-2-AMINO-1,3-THIOZOLE-4-CARBOXYLATEAKOS BB-9218TOSLAB 14869BUTTPARK 33\04-57TIMTEC-BB SBB000178Ethyl 2-amino-1,3-thAclatoniumIntermediate

2-amino-4-ethoxycarbonylthiazole2-aminothiazole-4-carboxylic acid ethyl esterNSC4464NSC-44642-AMINO-4-THIAZOLECARBOXYLIC ACID ETHYL ESTERNSC-435472-Amino-4-(ethoxycarbonyl)-1,3-thiazoleF0060-0149

데이터베이스 식별자

CAS: 5398-36-7
PubChem CID: 73216
DTXSID: DTXSID60202285
ChEMBL: CHEMBL1620353
UNII: P5Q9ELY6B7
EC Number: 611-074-4
Nikkaji: J277.248E

물성

구조 계산 물성

XLogP: 1.2
극성 표면적: 93.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 3
무거운 원자 수: 11
형식 전하: 0
복잡도: 154

실험 및 물리화학적 성질

Chemical ClassesNitrogen Compounds -> Thiazoles

Physical DescriptionPale yellow powder; [Alfa Aesar MSDS]

물리화학적 성질

녹는점: 177 °C · 177 °C
끓는 점: 308 · 308.0±15.0 °C(Predicted)
밀도: 1.336 · 1.336±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: DMSO(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): 2.6 · 2.60±0.10(Predicted)
색상: 페일베이지
InChI: InChI=1S/C6H8N2O2S/c1-2-10-5(9)4-3-11-6(7)8-4/h3H,2H2,1H3,(H2,7,8)
InChIKey: XHFUVBWCMLLKOZ-UHFFFAOYSA-N
SMILES: S1C=C(C(OCC)=O)N=C1N

화학적 성질

white crystal powde

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (11.1%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 9 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazards SummaryA skin and strong eye irritant; [Alfa Aesar MSDS] See 4-Methylthiazole.

Hazard Classes and CategoriesAcute Tox. 4 (11.1%)

안전 데이터

wgk: nwg
HS 번호: 29349990
risk_code: 36/37/38-22
hazard_code: Xi,Xn
safety_code: 24/25-36/37/39-26-22
위험 등급: IRRITANT
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

용도Ethyl 2-Amino-1,3-thiazole-4-carboxylate is a chemical reagent used in the preparation fo SAR thiazolamino arylaminopyrimidines as anaplastic lymphoma kinase inhibitors. As well as in the synthesis of 4-bicyclick piperadine derivatives as potent stearoyl-CoA desaturase (SCD1) inhibitors in the treatment of cancer.