CAS 850429-62-8 Methyl 2-Boc-aminothiazole-4-carboxylate (HCID 7213137)

기본 정보

CAS: 850429-62-8
표준 SMILES: COC(=O)c1csc(NC(=O)OC(C)(C)C)n1
InChIKey: VLJAUDDGOCGHFB-UHFFFAOYSA-N
분자식: C10H14N2O4S
평균 분자량: 258.3 g/mol
단동위원소 질량: 258.06742793

이름 및 식별자

우선 이름: Methyl 2-Boc-aminothiazole-4-carboxylate
IUPAC: methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-4-carboxylate
현지명: 2-TERT-BUTOXYCARBONYLAMINOTHIAZOLE-4-CARBOXYLICACID메틸에스테르
영어명: 2-tert-Butoxycarbonylaminothiazole-4-carboxylic acid methyl ester
분자식: C10H14N2O4S
분자량: 258.29

이름 및 동의어

850429-62-8Methyl 2-Boc-aminothiazole-4-carboxylateMethyl 2-(BOC-amino)thiazole-4-carboxylate2-Tert-butoxycarbonylaminothiazole-4-carboxylic acid methyl esterMFCD06659910methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-4-carboxylateN-Boc Methyl 2-Aminothioazole-4-carboxylatemethyl 2-(tert-butoxycarbonylamino)thiazole-4-carboxylateMethyl 2-amino-1,3-thiazole-4-carboxylate, N-BOC protectedMethyl 2-[[(1,1-dimethylethoxy)carbonyl]amino]-4-thiazolecarboxylatemethyl 2-[[(tert-butoxy)carbonyl]amino]-1,3-thiazole-4-carboxylatemethyl 2-{[(tert-butoxy)carbonyl]amino}-1,3-thiazole-4-carboxylate

이름 더 보기

2-TERT-BUTOXYCARBONYLAMINOTHIAZOLE-4-CARBOXYLICACID메틸에스테르Methyl 2-amino-1METHYL 2-(BOC-AMINO)-4-THIAZOLECARBOXYLATEN-BOC-METHYL 2-AMINO-1,3-THIAZOLE-4-CARBOXYLATEMethyl 2-amino-1,3-thiazole-4-carboxylate, 2-BOC protectedMethyl 2-amino-1,3-thiazole-4-carboxylate, N-BOC protected 98%

물성

구조 계산 물성

XLogP: 2
극성 표면적: 106 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 6
회전 가능 결합 수: 5
무거운 원자 수: 17
형식 전하: 0
복잡도: 303

물리화학적 성질

녹는점: 156 · 156-160
저장 조건: 2 · 2-8°C
InChI: InChI=1S/C10H14N2O4S/c1-10(2,3)16-9(14)12-8-11-6(5-17-8)7(13)15-4/h5H,1-4H3,(H,11,12,14)
InChIKey: VLJAUDDGOCGHFB-UHFFFAOYSA-N
SMILES: S1C=C(C(OC)=O)N=C1NC(OC(C)(C)C)=O

안전 및 규제

안전 데이터

HS 번호: 2934100090
hazard_code: Xi
위험 참고 사항: Irritant

화학 및 산업

응용 분야

용도N-Boc Methyl 2-Aminothioazole-4-carboxylate a thiazolopyrimidinone derivative used as a modulator of NMDA receptor activity. Also a potential antiviral agent.