4-(5-chlorothiophen-2-yl)-4-oxo-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]butanamide

C18H15ClN2O2S2 — CID 60510774

IUPAC4-(5-chlorothiophen-2-yl)-4-oxo-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]butanamide
SMILESO=C(CCC(=O)c1ccc(Cl)s1)NCc1nc(-c2ccccc2)cs1
InChIInChI=1S/C18H15ClN2O2S2/c19-16-8-7-15(25-16)14(22)6-9-17(23)20-10-18-21-13(11-24-18)12-4-2-1-3-5-12/h1-5,7-8,11H,6,9-10H2,(H,20,23)
InChIKeyOZQOXEYSYBPAJO-UHFFFAOYSA-N
MW390.92 g/mol
LogP4.80
Rot. Bonds7

About 4-(5-chlorothiophen-2-yl)-4-oxo-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]butanamide

4-(5-chlorothiophen-2-yl)-4-oxo-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]butanamide (PubChem CID 60510774) has the molecular formula C18H15ClN2O2S2 and a molecular weight of 390.92 g/mol. Its IUPAC name is 4-(5-chlorothiophen-2-yl)-4-oxo-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]butanamide.

Molecular Properties

Compound Name4-(5-chlorothiophen-2-yl)-4-oxo-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]butanamide
PubChem CID60510774
Molecular FormulaC18H15ClN2O2S2
Molecular Weight390.92 g/mol
Exact Mass390.03
IUPAC Name4-(5-chlorothiophen-2-yl)-4-oxo-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]butanamide
SMILESO=C(CCC(=O)c1ccc(Cl)s1)NCc1nc(-c2ccccc2)cs1
InChIInChI=1S/C18H15ClN2O2S2/c19-16-8-7-15(25-16)14(22)6-9-17(23)20-10-18-21-13(11-24-18)12-4-2-1-3-5-12/h1-5,7-8,11H,6,9-10H2,(H,20,23)
InChIKeyOZQOXEYSYBPAJO-UHFFFAOYSA-N
XLogP4.80
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.92
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(5-chlorothiophen-2-yl)-4-oxo-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]butanamide with MolForge

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Related Compounds

3-(4-chlorophenyl)sulfanyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]propanamide
CID 60556784
4-(2,5-dimethylphenyl)-4-oxo-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]butanamide
CID 55842691
3-phenyl-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]propanamide
CID 110318189
4-(5-chlorothiophen-2-yl)-4-oxo-N-(2-phenylethyl)butanamide
CID 18108735
4-oxo-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]-4-thiophen-2-ylbutanamide
CID 108738582
4-(5-chlorothiophen-2-yl)-4-oxo-N-(1-phenylethyl)butanamide
CID 46652279
4-oxo-4-phenyl-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]butanamide
CID 108738568
4-(5-chlorothiophen-2-yl)-N-(3-hydroxypropyl)-4-oxobutanamide
CID 78798225
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]acetamide
CID 55663551
N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 1497759
N-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-3-(3-methylindazol-1-yl)propanamide
CID 71690200
N'-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]heptanediamide
CID 171617303

Frequently Asked Questions

What is the IUPAC name of 4-(5-chlorothiophen-2-yl)-4-oxo-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]butanamide?
The IUPAC name of 4-(5-chlorothiophen-2-yl)-4-oxo-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]butanamide (CID 60510774) is 4-(5-chlorothiophen-2-yl)-4-oxo-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]butanamide.
What is the SMILES notation for 4-(5-chlorothiophen-2-yl)-4-oxo-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]butanamide?
The canonical SMILES for 4-(5-chlorothiophen-2-yl)-4-oxo-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]butanamide is O=C(CCC(=O)c1ccc(Cl)s1)NCc1nc(-c2ccccc2)cs1.
What is the InChIKey of 4-(5-chlorothiophen-2-yl)-4-oxo-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]butanamide?
The InChIKey is OZQOXEYSYBPAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O2S2/c19-16-8-7-15(25-16)14(22)6-9-17(23)20-10-18-21-13(11-24-18)12-4-2-1-3-5-12/h1-5,7-8,11H,6,9-10H2,(H,20,23).
What are the key properties of 4-(5-chlorothiophen-2-yl)-4-oxo-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]butanamide?
4-(5-chlorothiophen-2-yl)-4-oxo-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]butanamide has a molecular weight of 390.92 g/mol, XLogP of 4.80, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chlorothiophen-2-yl)-4-oxo-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]butanamide is sourced from PubChem (CID 60510774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).