4-fluoro-N-[(4-phenyl-1,3-thiazol-2-yl)carbamothioyl]benzamide

C17H12FN3OS2 — CID 1275742

IUPAC4-fluoro-N-[(4-phenyl-1,3-thiazol-2-yl)carbamothioyl]benzamide
SMILESO=C(NC(=S)Nc1nc(-c2ccccc2)cs1)c1ccc(F)cc1
InChIInChI=1S/C17H12FN3OS2/c18-13-8-6-12(7-9-13)15(22)20-16(23)21-17-19-14(10-24-17)11-4-2-1-3-5-11/h1-10H,(H2,19,20,21,22,23)
InChIKeyUVKGDXSQJYWUFR-UHFFFAOYSA-N
MW357.44 g/mol
LogP4.08
Rot. Bonds3

About 4-fluoro-N-[(4-phenyl-1,3-thiazol-2-yl)carbamothioyl]benzamide

4-fluoro-N-[(4-phenyl-1,3-thiazol-2-yl)carbamothioyl]benzamide (PubChem CID 1275742) has the molecular formula C17H12FN3OS2 and a molecular weight of 357.44 g/mol. Its IUPAC name is 4-fluoro-N-[(4-phenyl-1,3-thiazol-2-yl)carbamothioyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[(4-phenyl-1,3-thiazol-2-yl)carbamothioyl]benzamide
PubChem CID1275742
Molecular FormulaC17H12FN3OS2
Molecular Weight357.44 g/mol
Exact Mass357.04
IUPAC Name4-fluoro-N-[(4-phenyl-1,3-thiazol-2-yl)carbamothioyl]benzamide
SMILESO=C(NC(=S)Nc1nc(-c2ccccc2)cs1)c1ccc(F)cc1
InChIInChI=1S/C17H12FN3OS2/c18-13-8-6-12(7-9-13)15(22)20-16(23)21-17-19-14(10-24-17)11-4-2-1-3-5-11/h1-10H,(H2,19,20,21,22,23)
InChIKeyUVKGDXSQJYWUFR-UHFFFAOYSA-N
XLogP4.08
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

4-methyl-3-nitro-N-[(4-phenyl-1,3-thiazol-2-yl)carbamothioyl]benzamide
CID 2285767
N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl]-4-phenylmethoxybenzamide
CID 17113568
3-ethoxy-N-[(4-phenyl-1,3-thiazol-2-yl)carbamothioyl]benzamide
CID 1018432
3-bromo-4-ethoxy-N-[(4-phenyl-1,3-thiazol-2-yl)carbamothioyl]benzamide
CID 2282968
4-bromo-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 988802
5-chloro-N-[(4-phenyl-1,3-thiazol-2-yl)carbamothioyl]naphthalene-1-carboxamide
CID 22778024
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-(trifluoromethyl)benzamide
CID 7948246
N-[[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl]-4-methoxybenzamide
CID 54860548
[2-oxo-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 4-fluorobenzoate
CID 23988138
3-butoxy-N-[(4-phenyl-1,3-thiazol-2-yl)carbamothioyl]benzamide
CID 2283270
(4-phenyl-1,3-thiazol-2-yl)thiourea
CID 799782
4-acetamido-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 2090772

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(4-phenyl-1,3-thiazol-2-yl)carbamothioyl]benzamide?
The IUPAC name of 4-fluoro-N-[(4-phenyl-1,3-thiazol-2-yl)carbamothioyl]benzamide (CID 1275742) is 4-fluoro-N-[(4-phenyl-1,3-thiazol-2-yl)carbamothioyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[(4-phenyl-1,3-thiazol-2-yl)carbamothioyl]benzamide?
The canonical SMILES for 4-fluoro-N-[(4-phenyl-1,3-thiazol-2-yl)carbamothioyl]benzamide is O=C(NC(=S)Nc1nc(-c2ccccc2)cs1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[(4-phenyl-1,3-thiazol-2-yl)carbamothioyl]benzamide?
The InChIKey is UVKGDXSQJYWUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN3OS2/c18-13-8-6-12(7-9-13)15(22)20-16(23)21-17-19-14(10-24-17)11-4-2-1-3-5-11/h1-10H,(H2,19,20,21,22,23).
What are the key properties of 4-fluoro-N-[(4-phenyl-1,3-thiazol-2-yl)carbamothioyl]benzamide?
4-fluoro-N-[(4-phenyl-1,3-thiazol-2-yl)carbamothioyl]benzamide has a molecular weight of 357.44 g/mol, XLogP of 4.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(4-phenyl-1,3-thiazol-2-yl)carbamothioyl]benzamide is sourced from PubChem (CID 1275742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).