기본 정보
- 표준 SMILES
Cc1nc(C)c(-c2ccnc(Nc3ccc(N(C)C)cc3)n2)s1- InChIKey
FGGSNQOBRJVAKL-UHFFFAOYSA-N- 분자식
- C17H19N5S
- 평균 분자량
- 325.4 g/mol
이름 및 식별자
- 우선 이름
- N-(4-(2,4-Dimethyl-thiazol-5-YL)-pyrimidin-2-YL)-N',N'-dimethyl-benzene-1,4-diamine
- IUPAC
- 1-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine
이름 및 동의어
N-[4-(2,4-DIMETHYL-THIAZOL-5-YL)-PYRIMIDIN-2-YL]-N',N'-DIMETHYL-BENZENE-1,4-DIAMINEN-(4-(2,4-Dimethyl-thiazol-5-YL)-pyrimidin-2-YL)-N',N'-dimethyl-benzene-1,4-diamineN4-(4-(dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl)-N1,N1-dimethylbenzene-1,4-diamineN4-[4-(dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]-n1,n1-dimethylbenzene-1,4-diamineRefChem:826865CK81pxpn,n-dimethyl-n'-[4-(2,4-dimethyl-thiazol-5-yl)-pyrimidin-2-yl]-benzene-1,4-diaminen,n-dimethyl-n'-{4-(2,4-dimethyl-thiazol-5-yl)-pyrimidin-2-yl}-benzene-1,4-diamine2c5nCHEMBL46817BDBM8066
이름 더 보기
SCHEMBL4799735FGGSNQOBRJVAKL-UHFFFAOYSA-NDB07562PD005071NS000687792-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 37Q270967814-(dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]-1-N,1-N-dimethylbenzene-1,4-diamine, 3
데이터베이스 식별자
- PubChem CID
- 447962
- ChEMBL
CHEMBL46817- Nikkaji
- J2.869.744I
물성
구조 계산 물성
- XLogP
- 3.7
- 극성 표면적
- 82.2 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 23
- 형식 전하
- 0
- 복잡도
- 372
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Listed in ZINC15
관련 반응
4건
연결된 노트
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