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

C21H16N4O2S — CID 176858893

IUPACN-[4-(6-methoxy-2-pyridinyl)-1,3-thiazol-2-yl]-2-phenylpyridine-3-carboxamide
SMILESCOc1cccc(-c2csc(NC(=O)c3cccnc3-c3ccccc3)n2)n1
InChIInChI=1S/C21H16N4O2S/c1-27-18-11-5-10-16(23-18)17-13-28-21(24-17)25-20(26)15-9-6-12-22-19(15)14-7-3-2-4-8-14/h2-13H,1H3,(H,24,25,26)
InChIKeyAOEFSPJDJGFBQG-UHFFFAOYSA-N
MW388.45 g/mol
LogP4.53
Rot. Bonds5

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

N-[4-(6-methoxy-2-pyridinyl)-1,3-thiazol-2-yl]-2-phenylpyridine-3-carboxamide (PubChem CID 176858893) has the molecular formula C21H16N4O2S and a molecular weight of 388.45 g/mol. Its IUPAC name is N-[4-(6-methoxy-2-pyridinyl)-1,3-thiazol-2-yl]-2-phenylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(6-methoxy-2-pyridinyl)-1,3-thiazol-2-yl]-2-phenylpyridine-3-carboxamide
PubChem CID176858893
Molecular FormulaC21H16N4O2S
Molecular Weight388.45 g/mol
Exact Mass388.10
IUPAC NameN-[4-(6-methoxy-2-pyridinyl)-1,3-thiazol-2-yl]-2-phenylpyridine-3-carboxamide
SMILESCOc1cccc(-c2csc(NC(=O)c3cccnc3-c3ccccc3)n2)n1
InChIInChI=1S/C21H16N4O2S/c1-27-18-11-5-10-16(23-18)17-13-28-21(24-17)25-20(26)15-9-6-12-22-19(15)14-7-3-2-4-8-14/h2-13H,1H3,(H,24,25,26)
InChIKeyAOEFSPJDJGFBQG-UHFFFAOYSA-N
XLogP4.53
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(6-methoxy-2-pyridinyl)-1,3-thiazol-2-yl]-2-pyridin-3-ylpyridine-3-carboxamide
CID 176860054
2-(4-fluoro-3-methoxyphenyl)-N-[4-(6-methoxy-2-pyridinyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 176859350
2-(3-methoxyphenyl)-N-[4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 176859049
N-[4-(4-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)pyridine-3-carboxamide
CID 176859765
N-[4-(3,4-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)pyridine-3-carboxamide
CID 176859725
methyl 3-[2-[[2-(4-tert-butylphenyl)pyridine-3-carbonyl]amino]-1,3-thiazol-4-yl]benzoate
CID 87673985
N-[4-(6-methoxy-2-pyridinyl)-1,3-thiazol-2-yl]-3-phenylimidazole-4-carboxamide
CID 176859684
2-(4-fluoro-3-methoxyphenyl)-N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 176859316
2-(4-methoxyanilino)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 46978469
4-methoxy-1-methyl-6-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 91813993
2-methyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 576996
4-(4-methoxyphenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)thiadiazole-5-carboxamide
CID 52900445

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-methoxy-2-pyridinyl)-1,3-thiazol-2-yl]-2-phenylpyridine-3-carboxamide?
The IUPAC name of N-[4-(6-methoxy-2-pyridinyl)-1,3-thiazol-2-yl]-2-phenylpyridine-3-carboxamide (CID 176858893) is N-[4-(6-methoxy-2-pyridinyl)-1,3-thiazol-2-yl]-2-phenylpyridine-3-carboxamide.
What is the SMILES notation for N-[4-(6-methoxy-2-pyridinyl)-1,3-thiazol-2-yl]-2-phenylpyridine-3-carboxamide?
The canonical SMILES for N-[4-(6-methoxy-2-pyridinyl)-1,3-thiazol-2-yl]-2-phenylpyridine-3-carboxamide is COc1cccc(-c2csc(NC(=O)c3cccnc3-c3ccccc3)n2)n1.
What is the InChIKey of N-[4-(6-methoxy-2-pyridinyl)-1,3-thiazol-2-yl]-2-phenylpyridine-3-carboxamide?
The InChIKey is AOEFSPJDJGFBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O2S/c1-27-18-11-5-10-16(23-18)17-13-28-21(24-17)25-20(26)15-9-6-12-22-19(15)14-7-3-2-4-8-14/h2-13H,1H3,(H,24,25,26).
What are the key properties of N-[4-(6-methoxy-2-pyridinyl)-1,3-thiazol-2-yl]-2-phenylpyridine-3-carboxamide?
N-[4-(6-methoxy-2-pyridinyl)-1,3-thiazol-2-yl]-2-phenylpyridine-3-carboxamide has a molecular weight of 388.45 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-methoxy-2-pyridinyl)-1,3-thiazol-2-yl]-2-phenylpyridine-3-carboxamide is sourced from PubChem (CID 176858893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).