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

C22H15N5OS2 — CID 155410127

IUPACN-[4-[6-(4-cyanophenyl)-2-pyridinyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)Nc1nc(-c2cccc(-c3ccc(C#N)cc3)n2)cs1
InChIInChI=1S/C22H15N5OS2/c1-29-21-16(4-3-11-24-21)20(28)27-22-26-19(13-30-22)18-6-2-5-17(25-18)15-9-7-14(12-23)8-10-15/h2-11,13H,1H3,(H,26,27,28)
InChIKeyRYRNBKCFIKZJQB-UHFFFAOYSA-N
MW429.53 g/mol
LogP5.11
Rot. Bonds5

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

N-[4-[6-(4-cyanophenyl)-2-pyridinyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide (PubChem CID 155410127) has the molecular formula C22H15N5OS2 and a molecular weight of 429.53 g/mol. Its IUPAC name is N-[4-[6-(4-cyanophenyl)-2-pyridinyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[6-(4-cyanophenyl)-2-pyridinyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide
PubChem CID155410127
Molecular FormulaC22H15N5OS2
Molecular Weight429.53 g/mol
Exact Mass429.07
IUPAC NameN-[4-[6-(4-cyanophenyl)-2-pyridinyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)Nc1nc(-c2cccc(-c3ccc(C#N)cc3)n2)cs1
InChIInChI=1S/C22H15N5OS2/c1-29-21-16(4-3-11-24-21)20(28)27-22-26-19(13-30-22)18-6-2-5-17(25-18)15-9-7-14(12-23)8-10-15/h2-11,13H,1H3,(H,26,27,28)
InChIKeyRYRNBKCFIKZJQB-UHFFFAOYSA-N
XLogP5.11
TPSA91.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.53
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide
CID 2102582
N-[4-[3-(3-hydroxy-4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide
CID 155654640
N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-4-methylbenzamide
CID 721661
[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 2-methylsulfanylpyridine-3-carboxylate
CID 2404132
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-(6-methoxy-2-pyridinyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 176859350
2-(difluoromethylsulfanyl)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 24568681
2-methylsulfanyl-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 41154127
N-[4-(6-methoxy-2-pyridinyl)-1,3-thiazol-2-yl]-2-phenylpyridine-3-carboxamide
CID 176858893
N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]quinoline-5-carboxamide
CID 52637908
2-chloro-N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 134041379
N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-2-chloropyridine-3-carboxamide
CID 4098660

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-(4-cyanophenyl)-2-pyridinyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide?
The IUPAC name of N-[4-[6-(4-cyanophenyl)-2-pyridinyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide (CID 155410127) is N-[4-[6-(4-cyanophenyl)-2-pyridinyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-[4-[6-(4-cyanophenyl)-2-pyridinyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide?
The canonical SMILES for N-[4-[6-(4-cyanophenyl)-2-pyridinyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide is CSc1ncccc1C(=O)Nc1nc(-c2cccc(-c3ccc(C#N)cc3)n2)cs1.
What is the InChIKey of N-[4-[6-(4-cyanophenyl)-2-pyridinyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide?
The InChIKey is RYRNBKCFIKZJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N5OS2/c1-29-21-16(4-3-11-24-21)20(28)27-22-26-19(13-30-22)18-6-2-5-17(25-18)15-9-7-14(12-23)8-10-15/h2-11,13H,1H3,(H,26,27,28).
What are the key properties of N-[4-[6-(4-cyanophenyl)-2-pyridinyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide?
N-[4-[6-(4-cyanophenyl)-2-pyridinyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide has a molecular weight of 429.53 g/mol, XLogP of 5.11, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-(4-cyanophenyl)-2-pyridinyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 155410127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).