4-ethyl-N-(3-methylphenyl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide

C17H17N3OS — CID 53134299

IUPAC4-ethyl-N-(3-methylphenyl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
SMILESCCc1nc(-n2cccc2)sc1C(=O)Nc1cccc(C)c1
InChIInChI=1S/C17H17N3OS/c1-3-14-15(22-17(19-14)20-9-4-5-10-20)16(21)18-13-8-6-7-12(2)11-13/h4-11H,3H2,1-2H3,(H,18,21)
InChIKeyFLGWZOOSRTYMPI-UHFFFAOYSA-N
MW311.41 g/mol
LogP4.06
Rot. Bonds4

About 4-ethyl-N-(3-methylphenyl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide

4-ethyl-N-(3-methylphenyl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide (PubChem CID 53134299) has the molecular formula C17H17N3OS and a molecular weight of 311.41 g/mol. Its IUPAC name is 4-ethyl-N-(3-methylphenyl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-(3-methylphenyl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
PubChem CID53134299
Molecular FormulaC17H17N3OS
Molecular Weight311.41 g/mol
Exact Mass311.11
IUPAC Name4-ethyl-N-(3-methylphenyl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
SMILESCCc1nc(-n2cccc2)sc1C(=O)Nc1cccc(C)c1
InChIInChI=1S/C17H17N3OS/c1-3-14-15(22-17(19-14)20-9-4-5-10-20)16(21)18-13-8-6-7-12(2)11-13/h4-11H,3H2,1-2H3,(H,18,21)
InChIKeyFLGWZOOSRTYMPI-UHFFFAOYSA-N
XLogP4.06
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(dimethylamino)phenyl]-4-ethyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
CID 53134309
N-(4-acetamidophenyl)-4-butyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
CID 51054339
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
CID 28934755
N-(3,5-dimethylphenyl)-4-ethyl-2-(2-oxopyrrolidin-1-yl)-1,3-thiazole-5-carboxamide
CID 53125020
N-(3-acetamidophenyl)-4-ethylthiadiazole-5-carboxamide
CID 46522307
4-methyl-2-(methylamino)-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 110386385
4-methyl-2-(3-methylanilino)-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 53152765
4-methyl-2-(4-methylanilino)-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 53152942
4-ethyl-N-(3-ethylphenyl)thiadiazole-5-carboxamide
CID 9192445
2-(dimethylamino)-4-methyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 75437740
N-(3-methylphenyl)-4-(4-methylphenyl)thiadiazole-5-carboxamide
CID 100748644
3-amino-N-(3-methylphenyl)-6-propylthieno[2,3-b]pyridine-2-carboxamide
CID 23745667

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(3-methylphenyl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-ethyl-N-(3-methylphenyl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide (CID 53134299) is 4-ethyl-N-(3-methylphenyl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-ethyl-N-(3-methylphenyl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-ethyl-N-(3-methylphenyl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide is CCc1nc(-n2cccc2)sc1C(=O)Nc1cccc(C)c1.
What is the InChIKey of 4-ethyl-N-(3-methylphenyl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
The InChIKey is FLGWZOOSRTYMPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3OS/c1-3-14-15(22-17(19-14)20-9-4-5-10-20)16(21)18-13-8-6-7-12(2)11-13/h4-11H,3H2,1-2H3,(H,18,21).
What are the key properties of 4-ethyl-N-(3-methylphenyl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
4-ethyl-N-(3-methylphenyl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide has a molecular weight of 311.41 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(3-methylphenyl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 53134299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).