6-oxo-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]-1H-pyridine-3-carboxamide

C18H17N3O2S — CID 8005265

IUPAC6-oxo-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]-1H-pyridine-3-carboxamide
SMILESCc1cc(C)c(-c2csc(NC(=O)c3ccc(=O)[nH]c3)n2)cc1C
InChIInChI=1S/C18H17N3O2S/c1-10-6-12(3)14(7-11(10)2)15-9-24-18(20-15)21-17(23)13-4-5-16(22)19-8-13/h4-9H,1-3H3,(H,19,22)(H,20,21,23)
InChIKeyMIVFSAWOYMEUKF-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.68
Rot. Bonds3

About 6-oxo-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]-1H-pyridine-3-carboxamide

6-oxo-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]-1H-pyridine-3-carboxamide (PubChem CID 8005265) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is 6-oxo-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]-1H-pyridine-3-carboxamide
PubChem CID8005265
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Name6-oxo-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]-1H-pyridine-3-carboxamide
SMILESCc1cc(C)c(-c2csc(NC(=O)c3ccc(=O)[nH]c3)n2)cc1C
InChIInChI=1S/C18H17N3O2S/c1-10-6-12(3)14(7-11(10)2)15-9-24-18(20-15)21-17(23)13-4-5-16(22)19-8-13/h4-9H,1-3H3,(H,19,22)(H,20,21,23)
InChIKeyMIVFSAWOYMEUKF-UHFFFAOYSA-N
XLogP3.68
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]-2H-benzotriazole-5-carboxamide
CID 17471299
4-cyano-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 5198046
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 4826765
N-[4-(1-benzyl-2,5-dimethylpyrrol-3-yl)-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 2452631
N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 24569835
2-chloro-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 32696154
4-(cyclopropylsulfamoyl)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 41189388
N-[4-[2-(ethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 16881607
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 35875919
N-(3-methyl-1,2,4-thiadiazol-5-yl)-6-oxo-1H-pyridine-3-carboxamide
CID 115661254
3,5-dimethyl-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-4-carboxamide
CID 7924782
N-[4-[4-(3-acetamidobutyl)phenyl]-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 45281419

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]-1H-pyridine-3-carboxamide?
The IUPAC name of 6-oxo-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]-1H-pyridine-3-carboxamide (CID 8005265) is 6-oxo-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-oxo-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]-1H-pyridine-3-carboxamide is Cc1cc(C)c(-c2csc(NC(=O)c3ccc(=O)[nH]c3)n2)cc1C.
What is the InChIKey of 6-oxo-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]-1H-pyridine-3-carboxamide?
The InChIKey is MIVFSAWOYMEUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-10-6-12(3)14(7-11(10)2)15-9-24-18(20-15)21-17(23)13-4-5-16(22)19-8-13/h4-9H,1-3H3,(H,19,22)(H,20,21,23).
What are the key properties of 6-oxo-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]-1H-pyridine-3-carboxamide?
6-oxo-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]-1H-pyridine-3-carboxamide has a molecular weight of 339.42 g/mol, XLogP of 3.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 8005265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).