2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid

C17H17FN2O3S — CID 2932297

IUPAC2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1C(=O)Nc1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C17H17FN2O3S/c18-11-7-5-10(6-8-11)14-9-24-17(19-14)20-15(21)12-3-1-2-4-13(12)16(22)23/h5-9,12-13H,1-4H2,(H,22,23)(H,19,20,21)
InChIKeySTMFJDTXVZATRV-UHFFFAOYSA-N
MW348.40 g/mol
LogP3.78
Rot. Bonds4

About 2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid

2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 2932297) has the molecular formula C17H17FN2O3S and a molecular weight of 348.40 g/mol. Its IUPAC name is 2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID2932297
Molecular FormulaC17H17FN2O3S
Molecular Weight348.40 g/mol
Exact Mass348.09
IUPAC Name2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1C(=O)Nc1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C17H17FN2O3S/c18-11-7-5-10(6-8-11)14-9-24-17(19-14)20-15(21)12-3-1-2-4-13(12)16(22)23/h5-9,12-13H,1-4H2,(H,22,23)(H,19,20,21)
InChIKeySTMFJDTXVZATRV-UHFFFAOYSA-N
XLogP3.78
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Butanoic acid, 4-oxo-4-((4-phenyl-2-thiazolyl)amino)-
CID 804919
N1-hydroxy-N8-(4-phenylthiazol-2-yl)octanediamide
CID 10383069
N-(4-Phenyl-1,3-thiazol-2-yl)-7-sulfanyl-heptanamide
CID 11427204
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(4-fluorophenyl)acetamide
CID 871637
2-(4-fluorophenyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 7597179
2-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 813276
6-({[4-(2,4-Dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]amino}carbonyl)-3,4-dimethyl-3-cyclohexene-1-carboxylic acid
CID 4166285
Dodecanamide, N-(4-phenyl-2-thiazolyl)-
CID 3054676
Ptach
CID 11395181
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-phenylacetamide
CID 2671840
5-Oxo-5-[(4-phenyl-1,3-thiazol-2-yl)amino]pentanoic acid
CID 647626
3-({[4-(4-Isobutylphenyl)-1,3-thiazol-2-yl]amino}carbonyl)bicyclo[2.2.1]heptane-2-carboxylic acid
CID 4154181

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid (CID 2932297) is 2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid is O=C(O)C1CCCCC1C(=O)Nc1nc(-c2ccc(F)cc2)cs1.
What is the InChIKey of 2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is STMFJDTXVZATRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O3S/c18-11-7-5-10(6-8-11)14-9-24-17(19-14)20-15(21)12-3-1-2-4-13(12)16(22)23/h5-9,12-13H,1-4H2,(H,22,23)(H,19,20,21).
What are the key properties of 2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid?
2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 348.40 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 2932297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).