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

C13H11ClN2O2S — CID 23934454

IUPAC4-(4-chlorophenyl)-4-oxo-N-(1,3-thiazol-2-yl)butanamide
SMILESO=C(CCC(=O)c1ccc(Cl)cc1)Nc1nccs1
InChIInChI=1S/C13H11ClN2O2S/c14-10-3-1-9(2-4-10)11(17)5-6-12(18)16-13-15-7-8-19-13/h1-4,7-8H,5-6H2,(H,15,16,18)
InChIKeyDHHUPYHYHVPOFH-UHFFFAOYSA-N
MW294.76 g/mol
LogP3.40
Rot. Bonds5

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

4-(4-chlorophenyl)-4-oxo-N-(1,3-thiazol-2-yl)butanamide (PubChem CID 23934454) has the molecular formula C13H11ClN2O2S and a molecular weight of 294.76 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-4-oxo-N-(1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-4-oxo-N-(1,3-thiazol-2-yl)butanamide
PubChem CID23934454
Molecular FormulaC13H11ClN2O2S
Molecular Weight294.76 g/mol
Exact Mass294.02
IUPAC Name4-(4-chlorophenyl)-4-oxo-N-(1,3-thiazol-2-yl)butanamide
SMILESO=C(CCC(=O)c1ccc(Cl)cc1)Nc1nccs1
InChIInChI=1S/C13H11ClN2O2S/c14-10-3-1-9(2-4-10)11(17)5-6-12(18)16-13-15-7-8-19-13/h1-4,7-8H,5-6H2,(H,15,16,18)
InChIKeyDHHUPYHYHVPOFH-UHFFFAOYSA-N
XLogP3.40
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.76
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methylphenyl)-4-oxo-N-(1,3-thiazol-2-yl)butanamide
CID 23849935
4-(4-ethoxyphenyl)-4-oxo-N-(1,3-thiazol-2-yl)butanamide
CID 17436186
N-(3,4-dichlorophenyl)-N'-(1,3-thiazol-2-yl)butanediamide
CID 23822862
N,N'-bis(1,3-thiazol-2-yl)decanediamide
CID 17080102
4-amino-N-(1,3-thiazol-2-yl)butanamide;hydrochloride
CID 168719847
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 863218
3-acetamido-N-(1,3-thiazol-2-yl)propanamide
CID 2552425
4-oxo-4-[4-(1,3-thiazol-2-ylcarbamoyl)anilino]butanoic acid
CID 774064
4-(4-chlorophenyl)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-oxobutanamide
CID 55384945
N'-benzhydryl-N-(1,3-thiazol-2-yl)butanediamide
CID 23964431
3,4-difluoro-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide
CID 47334895
4-tert-butyl-N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]benzamide
CID 8762604

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-4-oxo-N-(1,3-thiazol-2-yl)butanamide?
The IUPAC name of 4-(4-chlorophenyl)-4-oxo-N-(1,3-thiazol-2-yl)butanamide (CID 23934454) is 4-(4-chlorophenyl)-4-oxo-N-(1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for 4-(4-chlorophenyl)-4-oxo-N-(1,3-thiazol-2-yl)butanamide?
The canonical SMILES for 4-(4-chlorophenyl)-4-oxo-N-(1,3-thiazol-2-yl)butanamide is O=C(CCC(=O)c1ccc(Cl)cc1)Nc1nccs1.
What is the InChIKey of 4-(4-chlorophenyl)-4-oxo-N-(1,3-thiazol-2-yl)butanamide?
The InChIKey is DHHUPYHYHVPOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O2S/c14-10-3-1-9(2-4-10)11(17)5-6-12(18)16-13-15-7-8-19-13/h1-4,7-8H,5-6H2,(H,15,16,18).
What are the key properties of 4-(4-chlorophenyl)-4-oxo-N-(1,3-thiazol-2-yl)butanamide?
4-(4-chlorophenyl)-4-oxo-N-(1,3-thiazol-2-yl)butanamide has a molecular weight of 294.76 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-4-oxo-N-(1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 23934454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).