N-benzyl-2-(4-hydroxy-2-oxopyridin-1(2H)-yl)-4-methylthiazole-5-carboxamide

HCID 54742338CAS 1105690-38-7

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cc1nc(-n2ccc(O)cc2=O)sc1C(=O)NCc1ccccc1
InChIKey: FZWTUTSNVNMLPN-UHFFFAOYSA-N
분자식: C17H15N3O3S
평균 분자량: 341.4 g/mol
단동위원소 질량: 341.08341234

이름 및 식별자

우선 이름: N-benzyl-2-(4-hydroxy-2-oxopyridin-1(2H)-yl)-4-methylthiazole-5-carboxamide
IUPAC: N-benzyl-2-(4-hydroxy-2-oxo-1-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide

이름 및 동의어

CHEMBL31044011105690-38-7N-benzyl-2-(4-hydroxy-2-oxopyridin-1(2H)-yl)-4-methylthiazole-5-carboxamideSCHEMBL3370654FZWTUTSNVNMLPN-UHFFFAOYSA-NDTXSID001351945BDBM50445732PD128885N-Benzyl-2-(4-hydroxy-2-oxo-1(2H)-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide

데이터베이스 식별자

CAS: 1105690-38-7
PubChem CID: 54742338
DTXSID: DTXSID001351945
ChEMBL: CHEMBL3104401

물성

구조 계산 물성

XLogP: 2.2
극성 표면적: 111 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 5
회전 가능 결합 수: 4
무거운 원자 수: 24
형식 전하: 0
복잡도: 557

관련 반응

35건

반응 기록 만들기

HRID 112691 반응식

HRID 112691반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 139671 반응식

HRID 139671반응물로Training data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 158729 반응식

HRID 158729반응물로Training data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 186016 반응식

HRID 186016반응물로Training data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 188419 반응식

HRID 188419반응물로Training data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 200524 반응식

HRID 200524반응물로Training data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 307216 반응식

HRID 307216반응물로Training data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 308492 반응식

HRID 308492반응물로Training data from https://doi.org/10.1039/C8SC04228D (8/10)

연결된 노트

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