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

C17H17N3O2S — CID 53037081

IUPAC2-(1,5-dimethylpyrrol-2-yl)-N-(2-methoxyphenyl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccccc1NC(=O)c1csc(-c2ccc(C)n2C)n1
InChIInChI=1S/C17H17N3O2S/c1-11-8-9-14(20(11)2)17-19-13(10-23-17)16(21)18-12-6-4-5-7-15(12)22-3/h4-10H,1-3H3,(H,18,21)
InChIKeyBDZMJSNYPXFSHO-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.72
Rot. Bonds4

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

2-(1,5-dimethylpyrrol-2-yl)-N-(2-methoxyphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 53037081) 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-(2-methoxyphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(1,5-dimethylpyrrol-2-yl)-N-(2-methoxyphenyl)-1,3-thiazole-4-carboxamide
PubChem CID53037081
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC Name2-(1,5-dimethylpyrrol-2-yl)-N-(2-methoxyphenyl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccccc1NC(=O)c1csc(-c2ccc(C)n2C)n1
InChIInChI=1S/C17H17N3O2S/c1-11-8-9-14(20(11)2)17-19-13(10-23-17)16(21)18-12-6-4-5-7-15(12)22-3/h4-10H,1-3H3,(H,18,21)
InChIKeyBDZMJSNYPXFSHO-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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Frequently Asked Questions

What is the IUPAC name of 2-(1,5-dimethylpyrrol-2-yl)-N-(2-methoxyphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(1,5-dimethylpyrrol-2-yl)-N-(2-methoxyphenyl)-1,3-thiazole-4-carboxamide (CID 53037081) is 2-(1,5-dimethylpyrrol-2-yl)-N-(2-methoxyphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(1,5-dimethylpyrrol-2-yl)-N-(2-methoxyphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(1,5-dimethylpyrrol-2-yl)-N-(2-methoxyphenyl)-1,3-thiazole-4-carboxamide is COc1ccccc1NC(=O)c1csc(-c2ccc(C)n2C)n1.
What is the InChIKey of 2-(1,5-dimethylpyrrol-2-yl)-N-(2-methoxyphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is BDZMJSNYPXFSHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-11-8-9-14(20(11)2)17-19-13(10-23-17)16(21)18-12-6-4-5-7-15(12)22-3/h4-10H,1-3H3,(H,18,21).
What are the key properties of 2-(1,5-dimethylpyrrol-2-yl)-N-(2-methoxyphenyl)-1,3-thiazole-4-carboxamide?
2-(1,5-dimethylpyrrol-2-yl)-N-(2-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-(2-methoxyphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 53037081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).