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

C14H14N2O2S — CID 23849935

IUPAC4-(4-methylphenyl)-4-oxo-N-(1,3-thiazol-2-yl)butanamide
SMILESCc1ccc(C(=O)CCC(=O)Nc2nccs2)cc1
InChIInChI=1S/C14H14N2O2S/c1-10-2-4-11(5-3-10)12(17)6-7-13(18)16-14-15-8-9-19-14/h2-5,8-9H,6-7H2,1H3,(H,15,16,18)
InChIKeyNPRVRQWRNLPYEY-UHFFFAOYSA-N
MW274.35 g/mol
LogP3.05
Rot. Bonds5

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

4-(4-methylphenyl)-4-oxo-N-(1,3-thiazol-2-yl)butanamide (PubChem CID 23849935) has the molecular formula C14H14N2O2S and a molecular weight of 274.35 g/mol. Its IUPAC name is 4-(4-methylphenyl)-4-oxo-N-(1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound Name4-(4-methylphenyl)-4-oxo-N-(1,3-thiazol-2-yl)butanamide
PubChem CID23849935
Molecular FormulaC14H14N2O2S
Molecular Weight274.35 g/mol
Exact Mass274.08
IUPAC Name4-(4-methylphenyl)-4-oxo-N-(1,3-thiazol-2-yl)butanamide
SMILESCc1ccc(C(=O)CCC(=O)Nc2nccs2)cc1
InChIInChI=1S/C14H14N2O2S/c1-10-2-4-11(5-3-10)12(17)6-7-13(18)16-14-15-8-9-19-14/h2-5,8-9H,6-7H2,1H3,(H,15,16,18)
InChIKeyNPRVRQWRNLPYEY-UHFFFAOYSA-N
XLogP3.05
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-chlorophenyl)-4-oxo-N-(1,3-thiazol-2-yl)butanamide
CID 23934454
4-(4-ethoxyphenyl)-4-oxo-N-(1,3-thiazol-2-yl)butanamide
CID 17436186
4-(4-methylphenyl)-4-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)butanamide
CID 51154196
4-(4-methylphenyl)-4-oxo-N-pyridin-2-ylbutanamide
CID 35034572
N,N'-bis(1,3-thiazol-2-yl)decanediamide
CID 17080102
3-acetamido-N-(1,3-thiazol-2-yl)propanamide
CID 2552425
4-(4-methylphenoxy)-N-(1,3-thiazol-2-yl)benzamide
CID 16651068
N'-(4-methylphenyl)-N'-[2-oxo-2-(propan-2-ylamino)ethyl]-N-(1,3-thiazol-2-yl)butanediamide
CID 3205463
2-[methyl-[(4-methylphenyl)methyl]amino]-N-(1,3-thiazol-2-yl)acetamide
CID 18134036
4-tert-butyl-N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]benzamide
CID 8762604
4-oxo-4-[4-(1,3-thiazol-2-ylcarbamoyl)anilino]butanoic acid
CID 774064
4-(4-methylphenyl)-4-oxo-N-phenylbutanamide
CID 956933

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-4-oxo-N-(1,3-thiazol-2-yl)butanamide?
The IUPAC name of 4-(4-methylphenyl)-4-oxo-N-(1,3-thiazol-2-yl)butanamide (CID 23849935) is 4-(4-methylphenyl)-4-oxo-N-(1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for 4-(4-methylphenyl)-4-oxo-N-(1,3-thiazol-2-yl)butanamide?
The canonical SMILES for 4-(4-methylphenyl)-4-oxo-N-(1,3-thiazol-2-yl)butanamide is Cc1ccc(C(=O)CCC(=O)Nc2nccs2)cc1.
What is the InChIKey of 4-(4-methylphenyl)-4-oxo-N-(1,3-thiazol-2-yl)butanamide?
The InChIKey is NPRVRQWRNLPYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S/c1-10-2-4-11(5-3-10)12(17)6-7-13(18)16-14-15-8-9-19-14/h2-5,8-9H,6-7H2,1H3,(H,15,16,18).
What are the key properties of 4-(4-methylphenyl)-4-oxo-N-(1,3-thiazol-2-yl)butanamide?
4-(4-methylphenyl)-4-oxo-N-(1,3-thiazol-2-yl)butanamide has a molecular weight of 274.35 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-4-oxo-N-(1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 23849935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).