N-[5-[3-(3-methylphenyl)-2-oxopropyl]-2-pyridinyl]-1,3-thiazole-4-carboxamide

C19H17N3O2S — CID 158610293

IUPACN-[5-[3-(3-methylphenyl)-2-oxopropyl]-2-pyridinyl]-1,3-thiazole-4-carboxamide
SMILESCc1cccc(CC(=O)Cc2ccc(NC(=O)c3cscn3)nc2)c1
InChIInChI=1S/C19H17N3O2S/c1-13-3-2-4-14(7-13)8-16(23)9-15-5-6-18(20-10-15)22-19(24)17-11-25-12-21-17/h2-7,10-12H,8-9H2,1H3,(H,20,22,24)
InChIKeyZSIMZYGEOANPNY-UHFFFAOYSA-N
MW351.43 g/mol
LogP3.45
Rot. Bonds6

About N-[5-[3-(3-methylphenyl)-2-oxopropyl]-2-pyridinyl]-1,3-thiazole-4-carboxamide

N-[5-[3-(3-methylphenyl)-2-oxopropyl]-2-pyridinyl]-1,3-thiazole-4-carboxamide (PubChem CID 158610293) has the molecular formula C19H17N3O2S and a molecular weight of 351.43 g/mol. Its IUPAC name is N-[5-[3-(3-methylphenyl)-2-oxopropyl]-2-pyridinyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-[3-(3-methylphenyl)-2-oxopropyl]-2-pyridinyl]-1,3-thiazole-4-carboxamide
PubChem CID158610293
Molecular FormulaC19H17N3O2S
Molecular Weight351.43 g/mol
Exact Mass351.10
IUPAC NameN-[5-[3-(3-methylphenyl)-2-oxopropyl]-2-pyridinyl]-1,3-thiazole-4-carboxamide
SMILESCc1cccc(CC(=O)Cc2ccc(NC(=O)c3cscn3)nc2)c1
InChIInChI=1S/C19H17N3O2S/c1-13-3-2-4-14(7-13)8-16(23)9-15-5-6-18(20-10-15)22-19(24)17-11-25-12-21-17/h2-7,10-12H,8-9H2,1H3,(H,20,22,24)
InChIKeyZSIMZYGEOANPNY-UHFFFAOYSA-N
XLogP3.45
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-fluoro-2-pyridinyl)-1,3-thiazole-4-carboxamide
CID 63235854
N-[5-[2-[[(2E,4Z)-6-fluoro-3-(trifluoromethyl)hepta-2,4,6-trienyl]amino]-2-oxoethyl]-2-pyridinyl]-1,3-thiazole-4-carboxamide
CID 90144342
N-[5-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]-2-pyridinyl]-1,3-thiazole-4-carboxamide
CID 90144191
N-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-4-carboxamide
CID 84554131
N-(2,6-dimethylphenyl)-1,3-thiazole-4-carboxamide
CID 62045312
N-[2-[3-(3-isocyanophenyl)-2-oxopropyl]-1,3-benzothiazol-6-yl]-1,3-thiazole-4-carboxamide
CID 157251529
2-(3-methylphenyl)-N-[5-(propylamino)-2-pyridinyl]acetamide
CID 113023476
1-(3-methylphenyl)-3-phenylpropan-2-one
CID 14882321
N-(2-chloro-6-methylphenyl)-1,3-thiazole-4-carboxamide
CID 66255718
5-ethyl-2-(1,3-thiazole-4-carbonylamino)benzoic acid
CID 110462206
N-[3-(diethylaminomethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 63050106
N-(2-ethylphenyl)-1,3-thiazole-4-carboxamide
CID 62046507

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(3-methylphenyl)-2-oxopropyl]-2-pyridinyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[5-[3-(3-methylphenyl)-2-oxopropyl]-2-pyridinyl]-1,3-thiazole-4-carboxamide (CID 158610293) is N-[5-[3-(3-methylphenyl)-2-oxopropyl]-2-pyridinyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[5-[3-(3-methylphenyl)-2-oxopropyl]-2-pyridinyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[5-[3-(3-methylphenyl)-2-oxopropyl]-2-pyridinyl]-1,3-thiazole-4-carboxamide is Cc1cccc(CC(=O)Cc2ccc(NC(=O)c3cscn3)nc2)c1.
What is the InChIKey of N-[5-[3-(3-methylphenyl)-2-oxopropyl]-2-pyridinyl]-1,3-thiazole-4-carboxamide?
The InChIKey is ZSIMZYGEOANPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2S/c1-13-3-2-4-14(7-13)8-16(23)9-15-5-6-18(20-10-15)22-19(24)17-11-25-12-21-17/h2-7,10-12H,8-9H2,1H3,(H,20,22,24).
What are the key properties of N-[5-[3-(3-methylphenyl)-2-oxopropyl]-2-pyridinyl]-1,3-thiazole-4-carboxamide?
N-[5-[3-(3-methylphenyl)-2-oxopropyl]-2-pyridinyl]-1,3-thiazole-4-carboxamide has a molecular weight of 351.43 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-(3-methylphenyl)-2-oxopropyl]-2-pyridinyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 158610293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).