2-Amino-5-[2,6-difluoro-4-(1-hydroxy-1-methylethyl)phenyl]thiophene-3-carboxamide

HCID 59525619

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(C)(O)c1cc(F)c(-c2cc(C(N)=O)c(N)s2)c(F)c1
InChIKey: RJENQXUXRUWMFJ-UHFFFAOYSA-N
분자식: C14H14F2N2O2S
평균 분자량: 312.34 g/mol

이름 및 식별자

우선 이름: 2-Amino-5-[2,6-difluoro-4-(1-hydroxy-1-methylethyl)phenyl]thiophene-3-carboxamide
IUPAC: 2-amino-5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophene-3-carboxamide

이름 및 동의어

SCHEMBL1246906RJENQXUXRUWMFJ-UHFFFAOYSA-N2-amino-5-[2,6-difluoro-4-(1-hydroxy-1-methylethyl)phenyl]thiophene-3-carboxamide5-[2,6-difluoro-4-(1-hydroxy-1-methylethyl)phenyl]-2-amino-thiophene-3-carboxamide

데이터베이스 식별자

PubChem CID: 59525619

물성

구조 계산 물성

XLogP: 2.2
극성 표면적: 118 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 6
회전 가능 결합 수: 3
무거운 원자 수: 21
형식 전하: 0
복잡도: 398

관련 반응

195건

반응 기록 만들기

HRID 88179 반응식

HRID 88179반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 89283 반응식

HRID 89283반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 92755 반응식

HRID 92755반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 98524 반응식

HRID 98524반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 99012 반응식

HRID 99012반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 107292 반응식

HRID 107292반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 111996 반응식

HRID 111996반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 118359 반응식

HRID 118359반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)

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