3-(4-fluorophenyl)-N-propyl-1,2-thiazole-5-carboxamide

C13H13FN2OS — CID 53169211

IUPAC3-(4-fluorophenyl)-N-propyl-1,2-thiazole-5-carboxamide
SMILESCCCNC(=O)c1cc(-c2ccc(F)cc2)ns1
InChIInChI=1S/C13H13FN2OS/c1-2-7-15-13(17)12-8-11(16-18-12)9-3-5-10(14)6-4-9/h3-6,8H,2,7H2,1H3,(H,15,17)
InChIKeyFVJYTQQVBOAECO-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.09
Rot. Bonds4

About 3-(4-fluorophenyl)-N-propyl-1,2-thiazole-5-carboxamide

3-(4-fluorophenyl)-N-propyl-1,2-thiazole-5-carboxamide (PubChem CID 53169211) has the molecular formula C13H13FN2OS and a molecular weight of 264.33 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-propyl-1,2-thiazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-propyl-1,2-thiazole-5-carboxamide
PubChem CID53169211
Molecular FormulaC13H13FN2OS
Molecular Weight264.33 g/mol
Exact Mass264.07
IUPAC Name3-(4-fluorophenyl)-N-propyl-1,2-thiazole-5-carboxamide
SMILESCCCNC(=O)c1cc(-c2ccc(F)cc2)ns1
InChIInChI=1S/C13H13FN2OS/c1-2-7-15-13(17)12-8-11(16-18-12)9-3-5-10(14)6-4-9/h3-6,8H,2,7H2,1H3,(H,15,17)
InChIKeyFVJYTQQVBOAECO-UHFFFAOYSA-N
XLogP3.09
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-fluorophenyl)-N-(2-methylpropyl)-1,2-thiazole-5-carboxamide
CID 53169222
4-[[6-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-propylbenzamide
CID 50783837
2-amino-4-(4-fluorophenyl)-N-propylthiophene-3-carboxamide
CID 82056632
5-(4-fluorophenyl)-N-propyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3122949
1-ethyl-1-[3-(4-fluorophenyl)-1,2-thiazol-5-yl]-3-methyl-3-propylurea
CID 70519519
N-(2-amino-2-ethylbutyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide;hydrochloride
CID 119639746
6-N-[2-(4-fluorophenyl)ethyl]-2-N-propylpyridine-2,6-dicarboxamide
CID 109093462
4-[(4-fluorophenyl)methylsulfamoyl]-N-propylthiophene-2-carboxamide
CID 20842955
4-N-[2-(4-fluorophenyl)ethyl]-1-N-propylbenzene-1,4-dicarboxamide
CID 109042913
2,4,6-trifluoro-N-propylbenzamide
CID 65100176
N-(3-aminobutyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 119494892
5-(4-fluorophenyl)-N-[3-(methylamino)propyl]thiophene-2-carboxamide;hydrochloride
CID 119429577

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-propyl-1,2-thiazole-5-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-propyl-1,2-thiazole-5-carboxamide (CID 53169211) is 3-(4-fluorophenyl)-N-propyl-1,2-thiazole-5-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-propyl-1,2-thiazole-5-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-propyl-1,2-thiazole-5-carboxamide is CCCNC(=O)c1cc(-c2ccc(F)cc2)ns1.
What is the InChIKey of 3-(4-fluorophenyl)-N-propyl-1,2-thiazole-5-carboxamide?
The InChIKey is FVJYTQQVBOAECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2OS/c1-2-7-15-13(17)12-8-11(16-18-12)9-3-5-10(14)6-4-9/h3-6,8H,2,7H2,1H3,(H,15,17).
What are the key properties of 3-(4-fluorophenyl)-N-propyl-1,2-thiazole-5-carboxamide?
3-(4-fluorophenyl)-N-propyl-1,2-thiazole-5-carboxamide has a molecular weight of 264.33 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-propyl-1,2-thiazole-5-carboxamide is sourced from PubChem (CID 53169211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).