4-(1,3-benzothiazol-2-ylamino)-2-methyl-5-oxo-4-(trifluoromethyl)-4,5-dihydro-1H-pyrrole-3-carbonitrile
기본 정보
- CAS
606924-68-9- 표준 SMILES
CC1=C(C#N)C(Nc2nc3ccccc3s2)(C(F)(F)F)C(=O)N1- InChIKey
CDTRPYLMBNUZOW-UHFFFAOYSA-N- 분자식
- C14H9F3N4OS
- 평균 분자량
- 338.31 g/mol
이름 및 식별자
- 우선 이름
- 4-(1,3-benzothiazol-2-ylamino)-2-methyl-5-oxo-4-(trifluoromethyl)-4,5-dihydro-1H-pyrrole-3-carbonitrile
- IUPAC
- 4-(1,3-benzothiazol-2-ylamino)-2-methyl-5-oxo-4-(trifluoromethyl)-1H-pyrrole-3-carbonitrile
- 영어명
- 1H-Pyrrole-3-carbonitrile,4-(2-benzothiazolylamino)-4,5-dihydro-2-methyl-5-oxo-4-(trifluoromethyl)-(9CI)
- 분자식
- C14H9F3N4OS
- 분자량
- 338.31
이름 및 동의어
4-(1,3-benzothiazol-2-ylamino)-2-methyl-5-oxo-4-(trifluoromethyl)-4,5-dihydro-1H-pyrrole-3-carbonitrile606924-68-9STK641279STK772889AKOS003310954AKOS005573076AKOS0220171844-(1,3-benzothiazol-2(3H)-ylideneamino)-2-methyl-5-oxo-4-(trifluoromethyl)-4,5-dihydro-1H-pyrrole-3-carbonitrileDB-268225SR-01000076443SR-01000076443-11H-PYRROLE-3-CARBONITRILE, 4-(2-BENZOTHIAZOLYLAMINO)-4,5-DIHYDRO-2-METHYL-5-OXO-4-(TRIFLUOROMETHYL)-
이름 더 보기
1H-Pyrrole-3-carbonitrile,4-(2-benzothiazolylamino)-4,5-dihydro-2-methyl-5-oxo-4-(trifluoromethyl)-(9CI)
4-(benzo[d]thiazol-2-ylamino)-2-methyl-5-oxo-4-(trifluoromethyl)-4,5-dihydro-1H-pyrrole-3-carbonitrile4-[(1,3-BENZOTHIAZOL-2-YL)AMINO]-2-METHYL-5-OXO-4-(TRIFLUOROMETHYL)-4,5-DIHYDRO-1H-PYRROLE-3-CARBONITRILE
데이터베이스 식별자
- CAS
606924-68-9
물성
구조 계산 물성
- XLogP
- 3.5
- 극성 표면적
- 106 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 23
- 형식 전하
- 0
- 복잡도
- 611
관련 반응
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