CAS 726185-68-8 Methyl 2-(piperazin-1-yl)thiazole-5-carboxylate (HCID 22831866)｜Huagongshe

2-피페라진-1-YL-티아졸-5-카르복실산메틸에스테르

Methyl 2-(piperazin-1-yl)thiazole-5-carboxylate

HCID 22831866

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 726185-68-8
표준 SMILES: COC(=O)c1cnc(N2CCNCC2)s1
InChIKey: NWHPWSRLTNLURY-UHFFFAOYSA-N
분자식: C9H13N3O2S
평균 분자량: 227.29 g/mol
단동위원소 질량: 227.07284766

이름 및 식별자

우선 이름: Methyl 2-(piperazin-1-yl)thiazole-5-carboxylate
IUPAC: methyl 2-piperazin-1-yl-1,3-thiazole-5-carboxylate
현지명: 2-피페라진-1-YL-티아졸-5-카르복실산메틸에스테르
영어명: 2-Piperazin-1-yl-thiazole-5-carboxylic acid methyl ester
분자식: C9H13N3O2S
분자량: 227.28

이름 및 동의어

Methyl 2-(piperazin-1-yl)thiazole-5-carboxylate726185-68-8Methyl 2-piperazin-1-yl-1,3-thiazole-5-carboxylatemethyl 2-(piperazin-1-yl)-1,3-thiazole-5-carboxylate2-PIPERAZIN-1-YL-THIAZOLE-5-CARBOXYLIC ACID METHYL ESTERSCHEMBL4092990DTXSID90628530NWHPWSRLTNLURY-UHFFFAOYSA-NAS-94103CS-0301995methyl 2-piperazin-1-ylthiazole-5-carboxylateG73065

이름 더 보기

2-피페라진-1-YL-티아졸-5-카르복실산메틸에스테르5-Thiazolecarboxylic acid, 2-(1-piperazinyl)-, methyl ester

Methyl2-(piperazin-1-yl)thiazole-5-carboxylateEN300-1071631Methyl 2-(1-piperazinyl)-thiazole-5-carboxylateF713430Methyl 2-(piperazin-1-yl)thiazole-5-carboxylate5-Thiazolecarboxylic acid, 2-(1-piperazinyl)-, methyl ester

데이터베이스 식별자

CAS: 726185-68-8
PubChem CID: 22831866
DTXSID: DTXSID90628530

물성

구조 계산 물성

XLogP: 0.9
극성 표면적: 82.7 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 6
회전 가능 결합 수: 3
무거운 원자 수: 15
형식 전하: 0
복잡도: 233

물리화학적 성질

끓는 점: 366.9 · 366.9±52.0 °C(Predicted)
밀도: 1.274 · 1.274±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 8.39 · 8.39±0.10(Predicted)

화학 및 산업

공급사13 곳

北京亿思研科技开发中心010-56645598 13366904824 · [email protected]

海济医药科技（苏州）有限公司18012778619 · [email protected]

深圳市星跃生物科技有限公司18124513697; 18124513697 · [email protected]

台州南峰药物研究所[email protected] 18616377689 · [email protected]

上海寰川实业有限公司021-61478794 · [email protected]

관련 반응

20건

반응 기록 만들기

HRID 103944 반응식

HRID 103944반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 119932 반응식

HRID 119932반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 122779 반응식

HRID 122779반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 293235 반응식

HRID 293235반응물로Training data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 805033 반응식

HRID 805033반응물로Test data from https://doi.org/10.1039/C8SC04228D

HRID 1119472 반응식

HRID 1119472반응물로Training data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1200606 반응식

HRID 1200606생성물로Training data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 1201338 반응식

HRID 1201338반응물로Training data from https://doi.org/10.1039/C8SC04228D (5/10)

화합물 노트

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