N-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
기본 정보
- CAS
919614-13-4- 표준 SMILES
CSc1nnc(NC(=O)CSc2nc(C)cs2)s1- InChIKey
WGTPPKAWMXTGNP-UHFFFAOYSA-N- 분자식
- C9H10N4OS4
- 평균 분자량
- 318.5 g/mol
이름 및 식별자
- 우선 이름
- N-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
- IUPAC
- N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
- 영어명
- 2-[(4-methyl-1,3-thiazol-2-yl)thio]-N-[5-(methylthio)-1,3,4-thiadiazol-2-yl]acetamide
- 분자식
- C9H10N4OS4
- 분자량
- 318.46
이름 및 동의어
919614-13-42-[(4-methyl-1,3-thiazol-2-yl)thio]-N-[5-(methylthio)-1,3,4-thiadiazol-2-yl]acetamideN-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamideSTK361416STK643461AKOS005434480AKOS005575040N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamideAP-853/434163892-((4-methylthiazol-2-yl)thio)-N-(5-(methylthio)-1,3,4-thiadiazol-2-yl)acetamideN-[(2E)-5-(methylsulfanyl)-1,3,4-thiadiazol-2(3H)-ylidene]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamideAcetamide, 2-[(4-methyl-2-thiazolyl)thio]-N-[5-(methylthio)-1,3,4-thiadiazol-2-yl]-
데이터베이스 식별자
- CAS
919614-13-4
물성
구조 계산 물성
- XLogP
- 2.7
- 극성 표면적
- 175 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 18
- 형식 전하
- 0
- 복잡도
- 296
물리화학적 성질
- 밀도
- 1.54 · 1.54±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 7.29 · 7.29±0.50(Predicted)
관련 반응
0건
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