기본 정보
- 표준 SMILES
C[C@H](NC(=S)Nc1ccc(NC(=O)c2cscn2)nc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1- InChIKey
YYLROCOWYKXSDJ-JTQLQIEISA-N- 분자식
- C20H15F6N5OS2
- 평균 분자량
- 519.5 g/mol
이름 및 식별자
- 우선 이름
- 4-Thiazolecarboxamide, N-[5-[[[[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]amino]thioxomethyl]amino]-2-pyridinyl]-
- IUPAC
- N-[5-[[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]carbamothioylamino]-2-pyridinyl]-1,3-thiazole-4-carboxamide
이름 및 동의어
4-Thiazolecarboxamide, N-[5-[[[[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]amino]thioxomethyl]amino]-2-pyridinyl]-N-(5-{[({(1S)-1-[3,5-bis(trifluoromethyl)phenyl)ethyl}amino)carbothioyl]amino}-2-pyridinyl)-1,3-thiazole-4-carboxamideN-(5-{[({(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]amino)carbothioyl]amino}-2-pyridinyl)-1,3-thiazole-4-carboxamideN-(5-{[({(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl}amino)carbothioyl]amino}-2-pyridinyl)-1,3-thiazole-4-carboxamideCHEMBL326747SCHEMBL6816543N-(5-{[({(1 S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl}amino)carbothioyl]amino}-2-pyridinyl)-1,3-thiazole-4-carboxamideN-(5-{[({(1S)-1-[3,5-bis (trifluoromethyl)phenyl]ethyl}amino)carbothioyl]amino}-2-pyridinyl)-1,3-thiazole-4carboxamideN-(5-{[({(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl}amino)carbothioyl]amino}-2-pyrdinyl)-1,3-thiazole-4-carboxamideN-(5-{[({(1S)1-[3,5-bis(trifluoromethyl)phenyl]ethyl}amino)carbothioyl]amino}-2-pyridinyl)-1,3-thiazole-4-carboxamideN-(5{[( {(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl}amino)carbothioyl]amino}-2-pyridinyl)-1,3-thiazole-4-carboxamideN-(5{[({(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl}amino)carbothioyl]amino}-2-pyridinyl)-1,3-thiazole-4-carboxamide
물성
구조 계산 물성
- XLogP
- 4.7
- 극성 표면적
- 139 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 11
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 34
- 형식 전하
- 0
- 복잡도
- 703
관련 반응
10건
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