N-[4-(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]butanamide

C19H19N3OS — CID 9356434

IUPACN-[4-(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(-c2nc(-c3ccccn3)sc2C)cc1
InChIInChI=1S/C19H19N3OS/c1-3-6-17(23)21-15-10-8-14(9-11-15)18-13(2)24-19(22-18)16-7-4-5-12-20-16/h4-5,7-12H,3,6H2,1-2H3,(H,21,23)
InChIKeyZKDLDOAITXQYLN-UHFFFAOYSA-N
MW337.45 g/mol
LogP4.92
Rot. Bonds5

About N-[4-(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]butanamide

N-[4-(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]butanamide (PubChem CID 9356434) has the molecular formula C19H19N3OS and a molecular weight of 337.45 g/mol. Its IUPAC name is N-[4-(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]butanamide.

Molecular Properties

Compound NameN-[4-(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]butanamide
PubChem CID9356434
Molecular FormulaC19H19N3OS
Molecular Weight337.45 g/mol
Exact Mass337.12
IUPAC NameN-[4-(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(-c2nc(-c3ccccn3)sc2C)cc1
InChIInChI=1S/C19H19N3OS/c1-3-6-17(23)21-15-10-8-14(9-11-15)18-13(2)24-19(22-18)16-7-4-5-12-20-16/h4-5,7-12H,3,6H2,1-2H3,(H,21,23)
InChIKeyZKDLDOAITXQYLN-UHFFFAOYSA-N
XLogP4.92
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-chlorophenyl)-5-methyl-2-pyridin-2-yl-1,3-thiazole
CID 4822801
[1-[4-(butanoylamino)phenyl]-1-oxopropan-2-yl] 4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxylate
CID 16565917
5-methyl-4-(4-nitrophenyl)-2-pyridin-2-yl-1,3-thiazole
CID 58200580
3-methyl-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]butanamide
CID 108769928
3-(1,3-dioxoisoindol-2-yl)-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 108769961
N-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]octanamide
CID 177491389
N,4-diphenyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 17473227
3-(4-ethoxy-3-methoxyphenyl)-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 108747872
4-[4-(difluoromethoxy)phenyl]-5-methyl-2-pyridin-2-yl-1,3-thiazole
CID 8964182
N,4-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 78816277
ethyl 2-ethoxycarbonyloxy-5-(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl)indole-1-carboxylate
CID 58200499
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 108811606

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]butanamide?
The IUPAC name of N-[4-(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]butanamide (CID 9356434) is N-[4-(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]butanamide.
What is the SMILES notation for N-[4-(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]butanamide?
The canonical SMILES for N-[4-(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]butanamide is CCCC(=O)Nc1ccc(-c2nc(-c3ccccn3)sc2C)cc1.
What is the InChIKey of N-[4-(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]butanamide?
The InChIKey is ZKDLDOAITXQYLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3OS/c1-3-6-17(23)21-15-10-8-14(9-11-15)18-13(2)24-19(22-18)16-7-4-5-12-20-16/h4-5,7-12H,3,6H2,1-2H3,(H,21,23).
What are the key properties of N-[4-(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]butanamide?
N-[4-(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]butanamide has a molecular weight of 337.45 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]butanamide is sourced from PubChem (CID 9356434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).