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

C17H13FN2O2S2 — CID 108742129

IUPAC4-(4-fluorophenyl)-4-oxo-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)butanamide
SMILESO=C(CCC(=O)c1ccc(F)cc1)Nc1nc(-c2cccs2)cs1
InChIInChI=1S/C17H13FN2O2S2/c18-12-5-3-11(4-6-12)14(21)7-8-16(22)20-17-19-13(10-24-17)15-2-1-9-23-15/h1-6,9-10H,7-8H2,(H,19,20,22)
InChIKeyACUHYFGMAPFPFE-UHFFFAOYSA-N
MW360.44 g/mol
LogP4.61
Rot. Bonds6

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

4-(4-fluorophenyl)-4-oxo-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)butanamide (PubChem CID 108742129) has the molecular formula C17H13FN2O2S2 and a molecular weight of 360.44 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-4-oxo-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-4-oxo-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)butanamide
PubChem CID108742129
Molecular FormulaC17H13FN2O2S2
Molecular Weight360.44 g/mol
Exact Mass360.04
IUPAC Name4-(4-fluorophenyl)-4-oxo-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)butanamide
SMILESO=C(CCC(=O)c1ccc(F)cc1)Nc1nc(-c2cccs2)cs1
InChIInChI=1S/C17H13FN2O2S2/c18-12-5-3-11(4-6-12)14(21)7-8-16(22)20-17-19-13(10-24-17)15-2-1-9-23-15/h1-6,9-10H,7-8H2,(H,19,20,22)
InChIKeyACUHYFGMAPFPFE-UHFFFAOYSA-N
XLogP4.61
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2,5-dimethylthiophen-3-yl)-4-oxo-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)butanamide
CID 55376540
4-(2-fluorophenoxy)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)butanamide
CID 55928851
4-amino-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)pentanamide
CID 120558829
2-(2-fluorophenyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 2080859
3-methyl-N,N'-bis(4-thiophen-2-yl-1,3-thiazol-2-yl)hexanediamide
CID 112830370
3-(benzenesulfonyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide
CID 7189641
3-(2,5-dioxopyrrolidin-1-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide
CID 36668177
2-(2-methyl-1,3-thiazol-4-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 29456306
N-[6-oxo-6-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]hexyl]benzamide
CID 108742103
3,3-diphenyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide
CID 4171293
3-(2-ethoxyphenyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide
CID 55381245
2-cyclopentyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 17404263

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-4-oxo-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)butanamide?
The IUPAC name of 4-(4-fluorophenyl)-4-oxo-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)butanamide (CID 108742129) is 4-(4-fluorophenyl)-4-oxo-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for 4-(4-fluorophenyl)-4-oxo-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)butanamide?
The canonical SMILES for 4-(4-fluorophenyl)-4-oxo-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)butanamide is O=C(CCC(=O)c1ccc(F)cc1)Nc1nc(-c2cccs2)cs1.
What is the InChIKey of 4-(4-fluorophenyl)-4-oxo-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)butanamide?
The InChIKey is ACUHYFGMAPFPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O2S2/c18-12-5-3-11(4-6-12)14(21)7-8-16(22)20-17-19-13(10-24-17)15-2-1-9-23-15/h1-6,9-10H,7-8H2,(H,19,20,22).
What are the key properties of 4-(4-fluorophenyl)-4-oxo-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)butanamide?
4-(4-fluorophenyl)-4-oxo-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)butanamide has a molecular weight of 360.44 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-4-oxo-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 108742129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).