N-[4-(3-methoxy-4,5-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide

C18H17N3O2S — CID 58442481

IUPACN-[4-(3-methoxy-4,5-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
SMILESCOc1cc(-c2csc(NC(=O)c3ccncc3)n2)cc(C)c1C
InChIInChI=1S/C18H17N3O2S/c1-11-8-14(9-16(23-3)12(11)2)15-10-24-18(20-15)21-17(22)13-4-6-19-7-5-13/h4-10H,1-3H3,(H,20,21,22)
InChIKeyZLPHONUMQHAZNJ-UHFFFAOYSA-N
MW339.42 g/mol
LogP4.08
Rot. Bonds4

About N-[4-(3-methoxy-4,5-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide

N-[4-(3-methoxy-4,5-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide (PubChem CID 58442481) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is N-[4-(3-methoxy-4,5-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(3-methoxy-4,5-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
PubChem CID58442481
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC NameN-[4-(3-methoxy-4,5-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
SMILESCOc1cc(-c2csc(NC(=O)c3ccncc3)n2)cc(C)c1C
InChIInChI=1S/C18H17N3O2S/c1-11-8-14(9-16(23-3)12(11)2)15-10-24-18(20-15)21-17(22)13-4-6-19-7-5-13/h4-10H,1-3H3,(H,20,21,22)
InChIKeyZLPHONUMQHAZNJ-UHFFFAOYSA-N
XLogP4.08
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 88901622
N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 19196276
N-[4-[4-(4-chlorophenyl)sulfanyl-3,5-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 174737343
N-[4-(4-hydroxy-2,6-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 86690827
4-acetyl-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 2321966
N-[4-[4-(4-bromophenyl)-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 152683928
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-methylsulfonylbenzamide
CID 16802872
N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 896408
2-N,5-N-bis[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]thiophene-2,5-dicarboxamide
CID 5136321
N-[4-(4-ethoxy-2,6-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 88901625
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-methoxybenzamide
CID 734137
N-[4-[4-(3,5-dimethylphenoxy)-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 58442428

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methoxy-4,5-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The IUPAC name of N-[4-(3-methoxy-4,5-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide (CID 58442481) is N-[4-(3-methoxy-4,5-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[4-(3-methoxy-4,5-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[4-(3-methoxy-4,5-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide is COc1cc(-c2csc(NC(=O)c3ccncc3)n2)cc(C)c1C.
What is the InChIKey of N-[4-(3-methoxy-4,5-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The InChIKey is ZLPHONUMQHAZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-11-8-14(9-16(23-3)12(11)2)15-10-24-18(20-15)21-17(22)13-4-6-19-7-5-13/h4-10H,1-3H3,(H,20,21,22).
What are the key properties of N-[4-(3-methoxy-4,5-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide?
N-[4-(3-methoxy-4,5-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide has a molecular weight of 339.42 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methoxy-4,5-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 58442481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).