N-(2-chloro-6-methylphenyl)-2-(6-(2-hydroxyethylamino)-2-methylpyrimidin-4-ylamino)-1,3-thiazole-5-carboxamide
기본 정보
- CAS
302962-47-6- 표준 SMILES
Cc1nc(NCCO)cc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)n1- InChIKey
UZKWSGJDJDMOGQ-UHFFFAOYSA-N- 분자식
- C18H19ClN6O2S
- 평균 분자량
- 418.9 g/mol
- 단동위원소 질량
- 418.0978727
이름 및 식별자
- 우선 이름
- N-(2-chloro-6-methylphenyl)-2-(6-(2-hydroxyethylamino)-2-methylpyrimidin-4-ylamino)-1,3-thiazole-5-carboxamide
- IUPAC
- N-(2-chloro-6-methylphenyl)-2-[[6-(2-hydroxyethylamino)-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide
이름 및 동의어
302962-47-6N-(2-chloro-6-methylphenyl)-2-(6-(2-hydroxyethylamino)-2-methylpyrimidin-4-ylamino)-1,3-thiazole-5-carboxamideDes-2-(Piperazin-1-yl) 2-Amino DasatinibP34Y4C4YFRSCHEMBL773124CHEMBL386118SCHEMBL31634947BDBM132775-Thiazolecarboxamide, N-(2-chloro-6-methylphenyl)-2-[[6-[(2-hydroxyethyl)amino]-2-methyl-4-pyrimidinyl]amino]-N-(2-chloro-6-methylphenyl)-2-({6-[(2-hydroxyethyl)amino]-2-methylpyrimidin-4-yl}amino)-1,3-thiazole-5-carboxamiden-(2-chloro-6-methylphenyl)-2-[[6-[(2-hydroxyethyl)amino]-2-methyl-4-pyrimidinyl]amino]-5-thiazolecarboxamide
데이터베이스 식별자
- CAS
302962-47-6- PubChem CID
- 11407465
- ChEMBL
CHEMBL386118- UNII
- P34Y4C4YFR
물성
구조 계산 물성
- XLogP
- 3.6
- 극성 표면적
- 140 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 28
- 형식 전하
- 0
- 복잡도
- 518
관련 반응
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