2-[3-(2-fluorophenyl)sulfanylpropanoylamino]-1,3-thiazole-5-carboxamide

C13H12FN3O2S2 — CID 78828524

IUPAC2-[3-(2-fluorophenyl)sulfanylpropanoylamino]-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1cnc(NC(=O)CCSc2ccccc2F)s1
InChIInChI=1S/C13H12FN3O2S2/c14-8-3-1-2-4-9(8)20-6-5-11(18)17-13-16-7-10(21-13)12(15)19/h1-4,7H,5-6H2,(H2,15,19)(H,16,17,18)
InChIKeyNJFRJUUKUPLXIU-UHFFFAOYSA-N
MW325.39 g/mol
LogP2.50
Rot. Bonds6

About 2-[3-(2-fluorophenyl)sulfanylpropanoylamino]-1,3-thiazole-5-carboxamide

2-[3-(2-fluorophenyl)sulfanylpropanoylamino]-1,3-thiazole-5-carboxamide (PubChem CID 78828524) has the molecular formula C13H12FN3O2S2 and a molecular weight of 325.39 g/mol. Its IUPAC name is 2-[3-(2-fluorophenyl)sulfanylpropanoylamino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[3-(2-fluorophenyl)sulfanylpropanoylamino]-1,3-thiazole-5-carboxamide
PubChem CID78828524
Molecular FormulaC13H12FN3O2S2
Molecular Weight325.39 g/mol
Exact Mass325.04
IUPAC Name2-[3-(2-fluorophenyl)sulfanylpropanoylamino]-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1cnc(NC(=O)CCSc2ccccc2F)s1
InChIInChI=1S/C13H12FN3O2S2/c14-8-3-1-2-4-9(8)20-6-5-11(18)17-13-16-7-10(21-13)12(15)19/h1-4,7H,5-6H2,(H2,15,19)(H,16,17,18)
InChIKeyNJFRJUUKUPLXIU-UHFFFAOYSA-N
XLogP2.50
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(2-fluorophenyl)sulfanylpropanoylamino]benzamide
CID 26465908
3-(2-fluorophenyl)sulfanylpropanehydrazide
CID 43236853
N-(6-fluoro-1,3-benzothiazol-2-yl)-3-(2-fluorophenyl)sulfanylpropanamide
CID 24509129
3-(2-fluorophenyl)sulfanyl-N-(1H-imidazol-2-yl)propanamide
CID 55212765
N-(2-amino-2-oxoethoxy)-3-(2-fluorophenyl)sulfanylpropanamide
CID 112550573
3-(2-fluorophenyl)sulfanyl-N-(1H-pyrazol-5-yl)propanamide
CID 60580111
N-(5-nitro-1,3-thiazol-2-yl)-3-phenylsulfanylpropanamide
CID 2973288
2-[[4-(5-methylthiophen-2-yl)-4-oxobutanoyl]amino]-1,3-thiazole-5-carboxamide
CID 78828249
2-[3-[(2-chloro-4-fluorobenzoyl)amino]propanoylamino]-1,3-thiazole-5-carboxamide
CID 78884701
2-[3-(2,3-dichlorophenyl)propanoylamino]-1,3-thiazole-5-carboxamide
CID 43078049
3-(2-fluorophenyl)sulfanyl-N-[2-(methylamino)ethyl]propanamide
CID 119502265
N-(4-ethylphenyl)-3-(2-fluorophenyl)sulfanylpropanamide
CID 26721934

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-fluorophenyl)sulfanylpropanoylamino]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[3-(2-fluorophenyl)sulfanylpropanoylamino]-1,3-thiazole-5-carboxamide (CID 78828524) is 2-[3-(2-fluorophenyl)sulfanylpropanoylamino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[3-(2-fluorophenyl)sulfanylpropanoylamino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[3-(2-fluorophenyl)sulfanylpropanoylamino]-1,3-thiazole-5-carboxamide is NC(=O)c1cnc(NC(=O)CCSc2ccccc2F)s1.
What is the InChIKey of 2-[3-(2-fluorophenyl)sulfanylpropanoylamino]-1,3-thiazole-5-carboxamide?
The InChIKey is NJFRJUUKUPLXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O2S2/c14-8-3-1-2-4-9(8)20-6-5-11(18)17-13-16-7-10(21-13)12(15)19/h1-4,7H,5-6H2,(H2,15,19)(H,16,17,18).
What are the key properties of 2-[3-(2-fluorophenyl)sulfanylpropanoylamino]-1,3-thiazole-5-carboxamide?
2-[3-(2-fluorophenyl)sulfanylpropanoylamino]-1,3-thiazole-5-carboxamide has a molecular weight of 325.39 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-fluorophenyl)sulfanylpropanoylamino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 78828524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).