2-(4-methoxyanilino)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide

C21H17N5O2S — CID 46978469

IUPAC2-(4-methoxyanilino)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide
SMILESCOc1ccc(Nc2ncccc2C(=O)Nc2nc(-c3ccccn3)cs2)cc1
InChIInChI=1S/C21H17N5O2S/c1-28-15-9-7-14(8-10-15)24-19-16(5-4-12-23-19)20(27)26-21-25-18(13-29-21)17-6-2-3-11-22-17/h2-13H,1H3,(H,23,24)(H,25,26,27)
InChIKeySRVXIEBAQLCTHQ-UHFFFAOYSA-N
MW403.47 g/mol
LogP4.60
Rot. Bonds6

About 2-(4-methoxyanilino)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide

2-(4-methoxyanilino)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide (PubChem CID 46978469) has the molecular formula C21H17N5O2S and a molecular weight of 403.47 g/mol. Its IUPAC name is 2-(4-methoxyanilino)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(4-methoxyanilino)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide
PubChem CID46978469
Molecular FormulaC21H17N5O2S
Molecular Weight403.47 g/mol
Exact Mass403.11
IUPAC Name2-(4-methoxyanilino)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide
SMILESCOc1ccc(Nc2ncccc2C(=O)Nc2nc(-c3ccccn3)cs2)cc1
InChIInChI=1S/C21H17N5O2S/c1-28-15-9-7-14(8-10-15)24-19-16(5-4-12-23-19)20(27)26-21-25-18(13-29-21)17-6-2-3-11-22-17/h2-13H,1H3,(H,23,24)(H,25,26,27)
InChIKeySRVXIEBAQLCTHQ-UHFFFAOYSA-N
XLogP4.60
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.47
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-methoxyphenyl)-4-pyridin-2-yl-1,3-thiazol-2-amine;hydrochloride
CID 126477222
6-methoxy-2-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)quinoline-3-carboxamide
CID 33076097
7-methoxy-2-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)quinoline-3-carboxamide
CID 78828928
4-methoxy-1-methyl-6-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 91813993
4-(4-methoxyphenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)thiadiazole-5-carboxamide
CID 52900445
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-methoxyanilino)pyridine-3-carboxamide
CID 54612749
N-(3,4-dichlorophenyl)-2-(4-methoxyanilino)pyridine-3-carboxamide
CID 23632726
1-[(4-methoxyphenyl)methyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrazole-4-carboxamide
CID 176859767
N-[4-(4-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)pyridine-3-carboxamide
CID 176859765
2-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)furan-3-carboxamide
CID 17427879
4-[(4-methoxyphenyl)methylsulfonyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 160741102
4-[(4-methoxyphenyl)-methylsulfamoyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 46912779

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyanilino)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide?
The IUPAC name of 2-(4-methoxyanilino)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide (CID 46978469) is 2-(4-methoxyanilino)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(4-methoxyanilino)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 2-(4-methoxyanilino)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide is COc1ccc(Nc2ncccc2C(=O)Nc2nc(-c3ccccn3)cs2)cc1.
What is the InChIKey of 2-(4-methoxyanilino)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide?
The InChIKey is SRVXIEBAQLCTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O2S/c1-28-15-9-7-14(8-10-15)24-19-16(5-4-12-23-19)20(27)26-21-25-18(13-29-21)17-6-2-3-11-22-17/h2-13H,1H3,(H,23,24)(H,25,26,27).
What are the key properties of 2-(4-methoxyanilino)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide?
2-(4-methoxyanilino)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide has a molecular weight of 403.47 g/mol, XLogP of 4.60, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyanilino)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 46978469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).