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

C18H18N4O2S — CID 53125123

IUPACN-(4-acetamidophenyl)-2-(1,5-dimethylpyrrol-2-yl)-1,3-thiazole-4-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2csc(-c3ccc(C)n3C)n2)cc1
InChIInChI=1S/C18H18N4O2S/c1-11-4-9-16(22(11)3)18-21-15(10-25-18)17(24)20-14-7-5-13(6-8-14)19-12(2)23/h4-10H,1-3H3,(H,19,23)(H,20,24)
InChIKeyPIAPGDQQOUCVLO-UHFFFAOYSA-N
MW354.44 g/mol
LogP3.67
Rot. Bonds4

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

N-(4-acetamidophenyl)-2-(1,5-dimethylpyrrol-2-yl)-1,3-thiazole-4-carboxamide (PubChem CID 53125123) has the molecular formula C18H18N4O2S and a molecular weight of 354.44 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-(1,5-dimethylpyrrol-2-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-(1,5-dimethylpyrrol-2-yl)-1,3-thiazole-4-carboxamide
PubChem CID53125123
Molecular FormulaC18H18N4O2S
Molecular Weight354.44 g/mol
Exact Mass354.12
IUPAC NameN-(4-acetamidophenyl)-2-(1,5-dimethylpyrrol-2-yl)-1,3-thiazole-4-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2csc(-c3ccc(C)n3C)n2)cc1
InChIInChI=1S/C18H18N4O2S/c1-11-4-9-16(22(11)3)18-21-15(10-25-18)17(24)20-14-7-5-13(6-8-14)19-12(2)23/h4-10H,1-3H3,(H,19,23)(H,20,24)
InChIKeyPIAPGDQQOUCVLO-UHFFFAOYSA-N
XLogP3.67
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,5-dimethylpyrrol-2-yl)-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 53037027
N-(5-chloro-2-methylphenyl)-2-(1,5-dimethylpyrrol-2-yl)-1,3-thiazole-4-carboxamide
CID 53037033
N-(4-acetamidophenyl)-2-pyridin-2-yl-1,3-thiazole-4-carboxamide
CID 48845320
N-(4-acetamidophenyl)-2-(3-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 46479944
N-(4-methylphenyl)-2-(5-methylthiophen-2-yl)-1,3-thiazole-4-carboxamide
CID 53037016
[2-(1,5-dimethylpyrrol-2-yl)-1,3-thiazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 53125120
2-(2,3-dichlorophenyl)-N-(4-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 2743991
N-(4-acetamidophenyl)-2-phenoxy-1,3-thiazole-4-carboxamide
CID 117092780
2-(4-methylphenyl)-N-[4-(propan-2-ylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 55865804
2-(2,6-difluoro-3-methylphenyl)-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 144595356
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
CID 60523451
N-[4-(tert-butylcarbamoyl)phenyl]-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 46539769

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-(1,5-dimethylpyrrol-2-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-2-(1,5-dimethylpyrrol-2-yl)-1,3-thiazole-4-carboxamide (CID 53125123) is N-(4-acetamidophenyl)-2-(1,5-dimethylpyrrol-2-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-(1,5-dimethylpyrrol-2-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-(1,5-dimethylpyrrol-2-yl)-1,3-thiazole-4-carboxamide is CC(=O)Nc1ccc(NC(=O)c2csc(-c3ccc(C)n3C)n2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-(1,5-dimethylpyrrol-2-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is PIAPGDQQOUCVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S/c1-11-4-9-16(22(11)3)18-21-15(10-25-18)17(24)20-14-7-5-13(6-8-14)19-12(2)23/h4-10H,1-3H3,(H,19,23)(H,20,24).
What are the key properties of N-(4-acetamidophenyl)-2-(1,5-dimethylpyrrol-2-yl)-1,3-thiazole-4-carboxamide?
N-(4-acetamidophenyl)-2-(1,5-dimethylpyrrol-2-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 354.44 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-(1,5-dimethylpyrrol-2-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 53125123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).