Methyl 5-(6-chloro-4-(isopropylamino)pyridin-3-yl)-1,3,4-thiadiazole-2-carboxylate

HCID 89690804

기본 정보

표준 SMILES
COC(=O)c1nnc(-c2cnc(Cl)cc2NC(C)C)s1
InChIKey
AEZPGDMNTWNKBS-UHFFFAOYSA-N
분자식
C12H13ClN4O2S
평균 분자량
312.78 g/mol

이름 및 식별자

우선 이름
Methyl 5-(6-chloro-4-(isopropylamino)pyridin-3-yl)-1,3,4-thiadiazole-2-carboxylate
IUPAC
methyl 5-[6-chloro-4-(propan-2-ylamino)-3-pyridinyl]-1,3,4-thiadiazole-2-carboxylate

이름 및 동의어

1447227-78-2Methyl 5-(6-chloro-4-(isopropylamino)pyridin-3-yl)-1,3,4-thiadiazole-2-carboxylatemethyl 5-{6-chloro-4-[(propan-2-yl)amino]pyridin-3-yl}-1,3,4-thiadiazole-2-carboxylatemethyl 5-[6-chloro-4-(propan-2-ylamino)pyridin-3-yl]-1,3,4-thiadiazole-2-carboxylateC12H13ClN4O2SSCHEMBL15111678SCHEMBL30843349AEZPGDMNTWNKBS-UHFFFAOYSA-NMFCD30185765AKOS027429971AS-73928DB-158661
이름 더 보기
W12939methyl 5-[6-chloro-4-(isopropylamino)-3-pyridyl]-1,3,4-thiadiazole-2-carboxylateMethyl5-(6-chloro-4-(isopropylamino)pyridin-3-yl)-1,3,4-thiadiazole-2-carboxylate5-(6-Chloro-4-isopropylamino-pyridin-3-yl)-[1,3,4]thiadiazole-2-carboxylic acid methyl ester

데이터베이스 식별자

PubChem CID
89690804

물성

구조 계산 물성

XLogP
2.9
극성 표면적
105 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
7
회전 가능 결합 수
5
무거운 원자 수
20

관련 반응

6건

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