2-(1,5-dimethylpyrrol-2-yl)-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide

C17H17N3O2S — CID 53037027

IUPAC2-(1,5-dimethylpyrrol-2-yl)-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2csc(-c3ccc(C)n3C)n2)cc1
InChIInChI=1S/C17H17N3O2S/c1-11-4-9-15(20(11)2)17-19-14(10-23-17)16(21)18-12-5-7-13(22-3)8-6-12/h4-10H,1-3H3,(H,18,21)
InChIKeyLFNHQPVYFUEVAA-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.72
Rot. Bonds4

About 2-(1,5-dimethylpyrrol-2-yl)-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide

2-(1,5-dimethylpyrrol-2-yl)-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 53037027) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is 2-(1,5-dimethylpyrrol-2-yl)-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(1,5-dimethylpyrrol-2-yl)-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
PubChem CID53037027
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC Name2-(1,5-dimethylpyrrol-2-yl)-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2csc(-c3ccc(C)n3C)n2)cc1
InChIInChI=1S/C17H17N3O2S/c1-11-4-9-15(20(11)2)17-19-14(10-23-17)16(21)18-12-5-7-13(22-3)8-6-12/h4-10H,1-3H3,(H,18,21)
InChIKeyLFNHQPVYFUEVAA-UHFFFAOYSA-N
XLogP3.72
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetamidophenyl)-2-(1,5-dimethylpyrrol-2-yl)-1,3-thiazole-4-carboxamide
CID 53125123
N-[4-(tert-butylcarbamoyl)phenyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 46584667
N-(4-methoxyphenyl)-2-[(4-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide
CID 16948355
N-(4-methoxyphenyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 53145632
N-(4-methoxyphenyl)-2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxamide
CID 16948201
2-(4-methoxyphenyl)-N-(1-methylpyrazol-3-yl)-1,3-thiazole-4-carboxamide
CID 18152667
2-[2-fluoro-4-[(3-methylphenyl)methoxy]phenyl]-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 46066918
2-[4-[(2,4-difluorophenyl)methoxy]phenyl]-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 46065831
N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 58867808
N-(4-methoxyphenyl)pyridine-2-carboxamide
CID 821516
2-[2-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 83285345
N-(4-methylphenyl)-2-(5-methylthiophen-2-yl)-1,3-thiazole-4-carboxamide
CID 53037016

Frequently Asked Questions

What is the IUPAC name of 2-(1,5-dimethylpyrrol-2-yl)-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(1,5-dimethylpyrrol-2-yl)-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide (CID 53037027) is 2-(1,5-dimethylpyrrol-2-yl)-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(1,5-dimethylpyrrol-2-yl)-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(1,5-dimethylpyrrol-2-yl)-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide is COc1ccc(NC(=O)c2csc(-c3ccc(C)n3C)n2)cc1.
What is the InChIKey of 2-(1,5-dimethylpyrrol-2-yl)-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is LFNHQPVYFUEVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-11-4-9-15(20(11)2)17-19-14(10-23-17)16(21)18-12-5-7-13(22-3)8-6-12/h4-10H,1-3H3,(H,18,21).
What are the key properties of 2-(1,5-dimethylpyrrol-2-yl)-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide?
2-(1,5-dimethylpyrrol-2-yl)-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 327.41 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,5-dimethylpyrrol-2-yl)-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 53037027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).