기본 정보
- CAS
701225-92-5- 표준 SMILES
CCn1c(SCC(=O)Nc2nccs2)nnc1-c1ccncc1- InChIKey
IXINXYDGCBQQLO-UHFFFAOYSA-N- 분자식
- C14H14N6OS2
- 평균 분자량
- 346.4 g/mol
이름 및 식별자
- 우선 이름
- 2-{[4-ethyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]thio}-N-1,3-thiazol-2-ylacetamide
- IUPAC
- 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
- 영어명
- 2-{[4-ethyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide
- 분자식
- C14H14N6OS2
- 분자량
- 346.43
이름 및 동의어
701225-92-5SMR000075810MLS0000640312-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide2-{[4-ethyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide2-{[4-ethyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]thio}-N-1,3-thiazol-2-ylacetamideMLS002546272cid_977261CHEMBL1348890BDBM37916HMS2321O22STK137321
이름 더 보기
Acetamide, 2-[[4-ethyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]thio]-N-2-thiazolyl-
AKOS000640078AQ-088/427852402-((4-ethyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(thiazol-2-yl)acetamide2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)ethanamide2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-N-(2-thiazolyl)acetamide2-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-thiazol-2-yl-acetamide2-{[4-ethyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide
데이터베이스 식별자
- CAS
701225-92-5- ChEMBL
CHEMBL1348890
물성
구조 계산 물성
- XLogP
- 1.4
- 극성 표면적
- 139 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 23
- 형식 전하
- 0
- 복잡도
- 395
물리화학적 성질
- 밀도
- 1.49 · 1.49±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 7.53 · 7.53±0.50(Predicted)
화학 및 산업
공급사4 곳
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