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

C14H15FN2OS — CID 53169222

IUPAC3-(4-fluorophenyl)-N-(2-methylpropyl)-1,2-thiazole-5-carboxamide
SMILESCC(C)CNC(=O)c1cc(-c2ccc(F)cc2)ns1
InChIInChI=1S/C14H15FN2OS/c1-9(2)8-16-14(18)13-7-12(17-19-13)10-3-5-11(15)6-4-10/h3-7,9H,8H2,1-2H3,(H,16,18)
InChIKeyQBBFHGDNDKPUJE-UHFFFAOYSA-N
MW278.35 g/mol
LogP3.34
Rot. Bonds4

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

3-(4-fluorophenyl)-N-(2-methylpropyl)-1,2-thiazole-5-carboxamide (PubChem CID 53169222) has the molecular formula C14H15FN2OS and a molecular weight of 278.35 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-(2-methylpropyl)-1,2-thiazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-(2-methylpropyl)-1,2-thiazole-5-carboxamide
PubChem CID53169222
Molecular FormulaC14H15FN2OS
Molecular Weight278.35 g/mol
Exact Mass278.09
IUPAC Name3-(4-fluorophenyl)-N-(2-methylpropyl)-1,2-thiazole-5-carboxamide
SMILESCC(C)CNC(=O)c1cc(-c2ccc(F)cc2)ns1
InChIInChI=1S/C14H15FN2OS/c1-9(2)8-16-14(18)13-7-12(17-19-13)10-3-5-11(15)6-4-10/h3-7,9H,8H2,1-2H3,(H,16,18)
InChIKeyQBBFHGDNDKPUJE-UHFFFAOYSA-N
XLogP3.34
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-fluorophenyl)-N-propyl-1,2-thiazole-5-carboxamide
CID 53169211
N-[2-(methylamino)propyl]-3-phenyl-1,2-thiazole-5-carboxamide;hydrochloride
CID 120826646
4-amino-3-(4-fluorophenyl)-N-(2-methylpropyl)-1,2-thiazole-5-carboxamide
CID 53335719
6-fluoro-N-(2-methylpropyl)-1-benzothiophene-2-carboxamide
CID 29205600
N-(3-amino-2-methylpropyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide;hydrochloride
CID 119997336
6-(4-fluorophenyl)-N-(2-methylpropyl)-2-oxo-1H-pyridine-3-carboxamide
CID 125491162
5-(4-fluorophenyl)-N-(2-methylpropyl)-1,2-oxazole-4-carboxamide
CID 110647364
1-ethyl-4-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 19514654
3-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-1,2-thiazole-5-carboxamide
CID 53169243
N-(2-methylpropyl)-1,3-thiazole-5-carboxamide
CID 110848299
3-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)-1H-pyrazole-5-carboxamide
CID 111441740
N-[1-ethyl-3-(2-methylpropylcarbamoyl)pyrazol-4-yl]-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 19402672

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-(2-methylpropyl)-1,2-thiazole-5-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-(2-methylpropyl)-1,2-thiazole-5-carboxamide (CID 53169222) is 3-(4-fluorophenyl)-N-(2-methylpropyl)-1,2-thiazole-5-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-(2-methylpropyl)-1,2-thiazole-5-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-(2-methylpropyl)-1,2-thiazole-5-carboxamide is CC(C)CNC(=O)c1cc(-c2ccc(F)cc2)ns1.
What is the InChIKey of 3-(4-fluorophenyl)-N-(2-methylpropyl)-1,2-thiazole-5-carboxamide?
The InChIKey is QBBFHGDNDKPUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2OS/c1-9(2)8-16-14(18)13-7-12(17-19-13)10-3-5-11(15)6-4-10/h3-7,9H,8H2,1-2H3,(H,16,18).
What are the key properties of 3-(4-fluorophenyl)-N-(2-methylpropyl)-1,2-thiazole-5-carboxamide?
3-(4-fluorophenyl)-N-(2-methylpropyl)-1,2-thiazole-5-carboxamide has a molecular weight of 278.35 g/mol, XLogP of 3.34, 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-(2-methylpropyl)-1,2-thiazole-5-carboxamide is sourced from PubChem (CID 53169222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).