N-[4-(4-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)pyridine-3-carboxamide

C21H15FN4O2S — CID 176859765

IUPACN-[4-(4-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)pyridine-3-carboxamide
SMILESCOc1ccc(-c2ncccc2C(=O)Nc2nc(-c3cc(F)ccn3)cs2)cc1
InChIInChI=1S/C21H15FN4O2S/c1-28-15-6-4-13(5-7-15)19-16(3-2-9-24-19)20(27)26-21-25-18(12-29-21)17-11-14(22)8-10-23-17/h2-12H,1H3,(H,25,26,27)
InChIKeyZQEPXWPMVZNWSW-UHFFFAOYSA-N
MW406.44 g/mol
LogP4.67
Rot. Bonds5

About N-[4-(4-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)pyridine-3-carboxamide

N-[4-(4-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)pyridine-3-carboxamide (PubChem CID 176859765) has the molecular formula C21H15FN4O2S and a molecular weight of 406.44 g/mol. Its IUPAC name is N-[4-(4-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(4-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)pyridine-3-carboxamide
PubChem CID176859765
Molecular FormulaC21H15FN4O2S
Molecular Weight406.44 g/mol
Exact Mass406.09
IUPAC NameN-[4-(4-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)pyridine-3-carboxamide
SMILESCOc1ccc(-c2ncccc2C(=O)Nc2nc(-c3cc(F)ccn3)cs2)cc1
InChIInChI=1S/C21H15FN4O2S/c1-28-15-6-4-13(5-7-15)19-16(3-2-9-24-19)20(27)26-21-25-18(12-29-21)17-11-14(22)8-10-23-17/h2-12H,1H3,(H,25,26,27)
InChIKeyZQEPXWPMVZNWSW-UHFFFAOYSA-N
XLogP4.67
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(3,4-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)pyridine-3-carboxamide
CID 176859725
2-(3-methoxyphenyl)-N-[4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 176859049
2-(4-fluoro-3-methoxyphenyl)-N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 176859316
N-[4-(6-methoxy-2-pyridinyl)-1,3-thiazol-2-yl]-2-phenylpyridine-3-carboxamide
CID 176858893
2-(4-fluoro-3-methoxyphenyl)-N-[4-(6-methoxy-2-pyridinyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 176859350
methyl 3-[2-[[2-(4-tert-butylphenyl)pyridine-3-carbonyl]amino]-1,3-thiazol-4-yl]benzoate
CID 87673985
5-(4-fluorophenyl)-N-[4-(4-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]-2-methyltriazole-4-carboxamide
CID 176859356
2-(4-methoxyanilino)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 46978469
4-(4-methoxyphenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)thiadiazole-5-carboxamide
CID 52900445
N-[4-(6-methoxy-2-pyridinyl)-1,3-thiazol-2-yl]-2-pyridin-3-ylpyridine-3-carboxamide
CID 176860054
N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-methoxypyridine-3-carboxamide
CID 134002964
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methoxybenzamide
CID 868787

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)pyridine-3-carboxamide?
The IUPAC name of N-[4-(4-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)pyridine-3-carboxamide (CID 176859765) is N-[4-(4-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[4-(4-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for N-[4-(4-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)pyridine-3-carboxamide is COc1ccc(-c2ncccc2C(=O)Nc2nc(-c3cc(F)ccn3)cs2)cc1.
What is the InChIKey of N-[4-(4-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)pyridine-3-carboxamide?
The InChIKey is ZQEPXWPMVZNWSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN4O2S/c1-28-15-6-4-13(5-7-15)19-16(3-2-9-24-19)20(27)26-21-25-18(12-29-21)17-11-14(22)8-10-23-17/h2-12H,1H3,(H,25,26,27).
What are the key properties of N-[4-(4-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)pyridine-3-carboxamide?
N-[4-(4-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)pyridine-3-carboxamide has a molecular weight of 406.44 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 176859765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).