2-(4-bromothiophen-2-yl)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide

C19H16BrN3O3S2 — CID 55940710

IUPAC2-(4-bromothiophen-2-yl)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide
SMILESCOc1cc(NC(=O)c2csc(-c3cc(Br)cs3)n2)ccc1N1CCCC1=O
InChIInChI=1S/C19H16BrN3O3S2/c1-26-15-8-12(4-5-14(15)23-6-2-3-17(23)24)21-18(25)13-10-28-19(22-13)16-7-11(20)9-27-16/h4-5,7-10H,2-3,6H2,1H3,(H,21,25)
InChIKeyMNLAZHQUYJKWFA-UHFFFAOYSA-N
MW478.39 g/mol
LogP5.02
Rot. Bonds5

About 2-(4-bromothiophen-2-yl)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide

2-(4-bromothiophen-2-yl)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 55940710) has the molecular formula C19H16BrN3O3S2 and a molecular weight of 478.39 g/mol. Its IUPAC name is 2-(4-bromothiophen-2-yl)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-bromothiophen-2-yl)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide
PubChem CID55940710
Molecular FormulaC19H16BrN3O3S2
Molecular Weight478.39 g/mol
Exact Mass476.98
IUPAC Name2-(4-bromothiophen-2-yl)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide
SMILESCOc1cc(NC(=O)c2csc(-c3cc(Br)cs3)n2)ccc1N1CCCC1=O
InChIInChI=1S/C19H16BrN3O3S2/c1-26-15-8-12(4-5-14(15)23-6-2-3-17(23)24)21-18(25)13-10-28-19(22-13)16-7-11(20)9-27-16/h4-5,7-10H,2-3,6H2,1H3,(H,21,25)
InChIKeyMNLAZHQUYJKWFA-UHFFFAOYSA-N
XLogP5.02
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.39
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 35387582
5-bromo-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]furan-2-carboxamide
CID 7686704
4-methoxy-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686632
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-1-methyltriazole-4-carboxamide
CID 71806466
2-(4-bromothiophen-2-yl)-N-(3,5-dimethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 52714960
2-chloro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686645
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 18140044
N'-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-N-(4-methoxyphenyl)oxamide
CID 30679370
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-3,4-dimethylbenzamide
CID 7686708
N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-4-(trifluoromethyl)benzamide
CID 7687570
2,4-dichloro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686691
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 51317994

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-2-yl)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(4-bromothiophen-2-yl)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide (CID 55940710) is 2-(4-bromothiophen-2-yl)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(4-bromothiophen-2-yl)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(4-bromothiophen-2-yl)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide is COc1cc(NC(=O)c2csc(-c3cc(Br)cs3)n2)ccc1N1CCCC1=O.
What is the InChIKey of 2-(4-bromothiophen-2-yl)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is MNLAZHQUYJKWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrN3O3S2/c1-26-15-8-12(4-5-14(15)23-6-2-3-17(23)24)21-18(25)13-10-28-19(22-13)16-7-11(20)9-27-16/h4-5,7-10H,2-3,6H2,1H3,(H,21,25).
What are the key properties of 2-(4-bromothiophen-2-yl)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide?
2-(4-bromothiophen-2-yl)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 478.39 g/mol, XLogP of 5.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromothiophen-2-yl)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 55940710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).