N-[4-(4-methoxy-2,6-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide

C18H17N3O2S — CID 53389631

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

About N-[4-(4-methoxy-2,6-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide

N-[4-(4-methoxy-2,6-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide (PubChem CID 53389631) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is N-[4-(4-methoxy-2,6-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(4-methoxy-2,6-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
PubChem CID53389631
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC NameN-[4-(4-methoxy-2,6-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
SMILESCOc1cc(C)c(-c2csc(NC(=O)c3ccncc3)n2)c(C)c1
InChIInChI=1S/C18H17N3O2S/c1-11-8-14(23-3)9-12(2)16(11)15-10-24-18(20-15)21-17(22)13-4-6-19-7-5-13/h4-10H,1-3H3,(H,20,21,22)
InChIKeyXRIDEZVVCZKPPS-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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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxy-2,6-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The IUPAC name of N-[4-(4-methoxy-2,6-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide (CID 53389631) is N-[4-(4-methoxy-2,6-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[4-(4-methoxy-2,6-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[4-(4-methoxy-2,6-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide is COc1cc(C)c(-c2csc(NC(=O)c3ccncc3)n2)c(C)c1.
What is the InChIKey of N-[4-(4-methoxy-2,6-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The InChIKey is XRIDEZVVCZKPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-11-8-14(23-3)9-12(2)16(11)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-(4-methoxy-2,6-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide?
N-[4-(4-methoxy-2,6-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-(4-methoxy-2,6-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 53389631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).