3-phenyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide

C17H15N3OS — CID 4801066

IUPAC3-phenyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
SMILESO=C(CCc1ccccc1)Nc1nc(-c2cccnc2)cs1
InChIInChI=1S/C17H15N3OS/c21-16(9-8-13-5-2-1-3-6-13)20-17-19-15(12-22-17)14-7-4-10-18-11-14/h1-7,10-12H,8-9H2,(H,19,20,21)
InChIKeyJQRWOAZLEMVMKS-UHFFFAOYSA-N
MW309.39 g/mol
LogP3.78
Rot. Bonds5

About 3-phenyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide

3-phenyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide (PubChem CID 4801066) has the molecular formula C17H15N3OS and a molecular weight of 309.39 g/mol. Its IUPAC name is 3-phenyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-phenyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
PubChem CID4801066
Molecular FormulaC17H15N3OS
Molecular Weight309.39 g/mol
Exact Mass309.09
IUPAC Name3-phenyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
SMILESO=C(CCc1ccccc1)Nc1nc(-c2cccnc2)cs1
InChIInChI=1S/C17H15N3OS/c21-16(9-8-13-5-2-1-3-6-13)20-17-19-15(12-22-17)14-7-4-10-18-11-14/h1-7,10-12H,8-9H2,(H,19,20,21)
InChIKeyJQRWOAZLEMVMKS-UHFFFAOYSA-N
XLogP3.78
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 840341
3-phenoxy-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
CID 110441097
4-amino-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)butanamide
CID 110460819
N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 134044739
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-pyridin-3-ylpropanamide
CID 18127703
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-phenylpropanamide
CID 19194885
3-(2-methylphenoxy)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
CID 9361604
3-[5-(2-fluorophenyl)furan-2-yl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
CID 134044736
4-oxo-4-[(4-phenyl-1,3-thiazol-2-yl)amino]butanoic acid
CID 804919
[2-oxo-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 3-phenylpropanoate
CID 23851559
N-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]-3-pyridin-3-ylpropanamide
CID 17456732
3-(4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
CID 135933507

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-phenyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide (CID 4801066) is 3-phenyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-phenyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-phenyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide is O=C(CCc1ccccc1)Nc1nc(-c2cccnc2)cs1.
What is the InChIKey of 3-phenyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide?
The InChIKey is JQRWOAZLEMVMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3OS/c21-16(9-8-13-5-2-1-3-6-13)20-17-19-15(12-22-17)14-7-4-10-18-11-14/h1-7,10-12H,8-9H2,(H,19,20,21).
What are the key properties of 3-phenyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide?
3-phenyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide has a molecular weight of 309.39 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 4801066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).