2-Bromo-N-(4-fluorobenzyl)-4-methylthiazole-5-carboxamide

HCID 66631405

기본 정보

표준 SMILES: Cc1nc(Br)sc1C(=O)NCc1ccc(F)cc1
InChIKey: CQTRKGSINIWSNH-UHFFFAOYSA-N
분자식: C12H10BrFN2OS
평균 분자량: 329.19 g/mol
단동위원소 질량: 327.96812

이름 및 식별자

우선 이름: 2-Bromo-N-(4-fluorobenzyl)-4-methylthiazole-5-carboxamide
IUPAC: 2-bromo-N-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide

이름 및 동의어

2-Bromo-N-(4-fluorobenzyl)-4-methylthiazole-5-carboxamide1009378-33-9SCHEMBL244641CQTRKGSINIWSNH-UHFFFAOYSA-NDB-3649162-bromo-4-methyl-thiazole-5-carboxylic acid 4-fluoro-benzylamide

데이터베이스 식별자

PubChem CID: 66631405

물성

구조 계산 물성

XLogP: 3.6
극성 표면적: 70.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 3
무거운 원자 수: 18
형식 전하: 0
복잡도: 300

관련 반응

19건

반응 기록 만들기

HRID 115556반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 118879생성물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 190674반응물로Training data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 192203생성물로Training data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 287441반응물로Training data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 560568생성물로uspto-grants-2011_11

HRID 560799반응물로uspto-grants-2011_11

HRID 1550112생성물로Training data from https://doi.org/10.1039/C8SC04228D (1/10)

연결된 노트

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