2-[1-[[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl]-4-piperidinyl]-4-thiazolecarboxylic acid

HCID 66601457

기본 정보

표준 SMILES
Cc1cc(C(F)(F)F)nn1CC(=O)N1CCC(c2nc(C(=O)O)cs2)CC1
InChIKey
JZNPWTCYRWYSEY-UHFFFAOYSA-N
분자식
C16H17F3N4O3S
평균 분자량
402.4 g/mol
단동위원소 질량
402.09734606

이름 및 식별자

우선 이름
2-[1-[[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl]-4-piperidinyl]-4-thiazolecarboxylic acid
IUPAC
2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxylic acid

이름 및 동의어

2-[1-[[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl]-4-piperidinyl]-4-thiazolecarboxylic acidSCHEMBL121172DTXSID0013496552-(1-{[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}piperidin-4-yl)-1,3-thiazole-4-carboxylic acid2-{1-[2-(5-methyl-3-trifluoromethyl-pyrazol-1-yl)-acetyl]-piperidin-4-yl}-thiazole-4-carboxylic acid2-{1-[2-(5-methyl-3-trifluoromethyl-pyrazol-1-yl)-acetyl]piperidin-4-yl}-thiazole-4-carboxylic acid2a(1a{2a[5aMethyla3a(trifluoromethyl)a1Hapyrazola1a yl]acetyl}piperidina4ayl)a1,3athiazolea4a carboxylic acid

데이터베이스 식별자

PubChem CID
66601457
DTXSID
DTXSID001349655

물성

구조 계산 물성

XLogP
2.3
극성 표면적
117 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
9
회전 가능 결합 수
4
무거운 원자 수
27

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29건

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