N-(3-ethylphenyl)-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide

C17H17N3OS — CID 6623184

IUPACN-(3-ethylphenyl)-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
SMILESCCc1cccc(NC(=O)c2sc(-n3cccc3)nc2C)c1
InChIInChI=1S/C17H17N3OS/c1-3-13-7-6-8-14(11-13)19-16(21)15-12(2)18-17(22-15)20-9-4-5-10-20/h4-11H,3H2,1-2H3,(H,19,21)
InChIKeyXTQZNQAXKNNWPE-UHFFFAOYSA-N
MW311.41 g/mol
LogP4.06
Rot. Bonds4

About N-(3-ethylphenyl)-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide

N-(3-ethylphenyl)-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide (PubChem CID 6623184) has the molecular formula C17H17N3OS and a molecular weight of 311.41 g/mol. Its IUPAC name is N-(3-ethylphenyl)-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-ethylphenyl)-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
PubChem CID6623184
Molecular FormulaC17H17N3OS
Molecular Weight311.41 g/mol
Exact Mass311.11
IUPAC NameN-(3-ethylphenyl)-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
SMILESCCc1cccc(NC(=O)c2sc(-n3cccc3)nc2C)c1
InChIInChI=1S/C17H17N3OS/c1-3-13-7-6-8-14(11-13)19-16(21)15-12(2)18-17(22-15)20-9-4-5-10-20/h4-11H,3H2,1-2H3,(H,19,21)
InChIKeyXTQZNQAXKNNWPE-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-(3,5-dimethylphenyl)-5-(4-pyridyl)-1,3-thiazol-2-yl]nicotinamide
CID 22282339
N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 790259
3-Pyridinecarboxamide, N-(4-phenyl-2-thiazolyl)-
CID 203433
N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)nicotinamide
CID 804510
N-(3-methylphenyl)-4-[2-(pyridin-4-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 23644843
N-{3-[4-(4-methyl-2-methylamino-thiazol-5-yl)-pyrimidin-2-ylamino]-benzyl}-acetamide
CID 10361685
N-[4-(3,5-dimethylphenyl)-5-pyridin-4-yl-1,3-thiazol-2-yl]-5-tritiopyridine-3-carboxamide
CID 166635231
N-[4-[2-[(4-methyl-2-pyridinyl)amino]-4-thiazolyl]phenyl]acetamide
CID 972499
2-(benzylamino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
CID 2440658
N-[(4-phenyl-1,3-thiazol-2-yl)carbamothioyl]pyridine-3-carboxamide
CID 940243
N-[3-[2-[(4-methyl-2-pyridinyl)amino]-4-thiazolyl]phenyl]acetamide
CID 1092458
N-[4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]pyridin-2-yl]propanamide
CID 9924607

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(3-ethylphenyl)-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide (CID 6623184) is N-(3-ethylphenyl)-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(3-ethylphenyl)-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(3-ethylphenyl)-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide is CCc1cccc(NC(=O)c2sc(-n3cccc3)nc2C)c1.
What is the InChIKey of N-(3-ethylphenyl)-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
The InChIKey is XTQZNQAXKNNWPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3OS/c1-3-13-7-6-8-14(11-13)19-16(21)15-12(2)18-17(22-15)20-9-4-5-10-20/h4-11H,3H2,1-2H3,(H,19,21).
What are the key properties of N-(3-ethylphenyl)-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
N-(3-ethylphenyl)-4-methyl-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 N-(3-ethylphenyl)-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 6623184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).