4-(4-methylphenyl)-4-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)butanamide

C19H17N3O2S — CID 51154196

IUPAC4-(4-methylphenyl)-4-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)butanamide
SMILESCc1ccc(C(=O)CCC(=O)Nc2nc(-c3ccccn3)cs2)cc1
InChIInChI=1S/C19H17N3O2S/c1-13-5-7-14(8-6-13)17(23)9-10-18(24)22-19-21-16(12-25-19)15-4-2-3-11-20-15/h2-8,11-12H,9-10H2,1H3,(H,21,22,24)
InChIKeyOCHWDCNSQLTBNO-UHFFFAOYSA-N
MW351.43 g/mol
LogP4.12
Rot. Bonds6

About 4-(4-methylphenyl)-4-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)butanamide

4-(4-methylphenyl)-4-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)butanamide (PubChem CID 51154196) has the molecular formula C19H17N3O2S and a molecular weight of 351.43 g/mol. Its IUPAC name is 4-(4-methylphenyl)-4-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound Name4-(4-methylphenyl)-4-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)butanamide
PubChem CID51154196
Molecular FormulaC19H17N3O2S
Molecular Weight351.43 g/mol
Exact Mass351.10
IUPAC Name4-(4-methylphenyl)-4-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)butanamide
SMILESCc1ccc(C(=O)CCC(=O)Nc2nc(-c3ccccn3)cs2)cc1
InChIInChI=1S/C19H17N3O2S/c1-13-5-7-14(8-6-13)17(23)9-10-18(24)22-19-21-16(12-25-19)15-4-2-3-11-20-15/h2-8,11-12H,9-10H2,1H3,(H,21,22,24)
InChIKeyOCHWDCNSQLTBNO-UHFFFAOYSA-N
XLogP4.12
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 ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-methoxy-5-methylphenyl)-4-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)butanamide
CID 108744443
4-(2,5-dimethylthiophen-3-yl)-4-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)butanamide
CID 41164474
4-(4-methylphenyl)-4-oxo-N-pyridin-2-ylbutanamide
CID 35034572
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-oxo-4-phenylbutanamide
CID 52893209
2-(2,5-dimethylphenoxy)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide
CID 2660521
2-(2,4-dimethylphenoxy)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide
CID 24982533
3-phenoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
CID 4109767
N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2-(2,4,6-trimethylphenoxy)acetamide
CID 4011297
4-(4-methylphenyl)-4-oxo-N-(1,3-thiazol-2-yl)butanamide
CID 23849935
N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-3-thiophen-3-ylpropanamide
CID 17404495
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-pyridin-2-ylsulfanylpropanamide
CID 23833216
2-tert-butylsulfanyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide
CID 4798895

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-4-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)butanamide?
The IUPAC name of 4-(4-methylphenyl)-4-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)butanamide (CID 51154196) is 4-(4-methylphenyl)-4-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for 4-(4-methylphenyl)-4-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)butanamide?
The canonical SMILES for 4-(4-methylphenyl)-4-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)butanamide is Cc1ccc(C(=O)CCC(=O)Nc2nc(-c3ccccn3)cs2)cc1.
What is the InChIKey of 4-(4-methylphenyl)-4-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)butanamide?
The InChIKey is OCHWDCNSQLTBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2S/c1-13-5-7-14(8-6-13)17(23)9-10-18(24)22-19-21-16(12-25-19)15-4-2-3-11-20-15/h2-8,11-12H,9-10H2,1H3,(H,21,22,24).
What are the key properties of 4-(4-methylphenyl)-4-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)butanamide?
4-(4-methylphenyl)-4-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)butanamide has a molecular weight of 351.43 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-4-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 51154196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).