2-[[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid

C18H19FN2O3S — CID 5205840

IUPAC2-[[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid
SMILESCc1sc(NC(=O)C2CCCCC2C(=O)O)nc1-c1ccc(F)cc1
InChIInChI=1S/C18H19FN2O3S/c1-10-15(11-6-8-12(19)9-7-11)20-18(25-10)21-16(22)13-4-2-3-5-14(13)17(23)24/h6-9,13-14H,2-5H2,1H3,(H,23,24)(H,20,21,22)
InChIKeyHZCIMJLAYGKQHT-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.09
Rot. Bonds4

About 2-[[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid

2-[[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 5205840) has the molecular formula C18H19FN2O3S and a molecular weight of 362.43 g/mol. Its IUPAC name is 2-[[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID5205840
Molecular FormulaC18H19FN2O3S
Molecular Weight362.43 g/mol
Exact Mass362.11
IUPAC Name2-[[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid
SMILESCc1sc(NC(=O)C2CCCCC2C(=O)O)nc1-c1ccc(F)cc1
InChIInChI=1S/C18H19FN2O3S/c1-10-15(11-6-8-12(19)9-7-11)20-18(25-10)21-16(22)13-4-2-3-5-14(13)17(23)24/h6-9,13-14H,2-5H2,1H3,(H,23,24)(H,20,21,22)
InChIKeyHZCIMJLAYGKQHT-UHFFFAOYSA-N
XLogP4.09
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-({[4-(2,4-Dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]amino}carbonyl)-3,4-dimethyl-3-cyclohexene-1-carboxylic acid
CID 4166285
3-({[4-(4-Isobutylphenyl)-1,3-thiazol-2-yl]amino}carbonyl)bicyclo[2.2.1]heptane-2-carboxylic acid
CID 4154181
(2-Anilino-4-phenyl-1,3-thiazol-5-yl)acetic acid
CID 950344
2-(4-(4-Fluorophenyl)-2-(phenylamino)thiazol-5-yl)acetic acid
CID 1282226
2-(4-(Biphenyl-4-yl)-2-(phenylamino)thiazol-5-yl)acetic acid
CID 46230289
2-{2-[(4-Methylphenyl)amino]-4-phenyl-1,3-thiazol-5-yl}acetic acid
CID 4020783
octanedioic acid [4-(3-Amino-phenyl)-thiazol-2-yl]-amide
CID 53323224
Succinamic acid, N-(5-carboxymethyl-4-(p-chlorophenyl)-2-thiazolyl)-, 5'-methyl ester
CID 3054234
6-({[4-(4-Fluorophenyl)-5-methyl-1,3-thiazol-2-yl]amino}carbonyl)-3,4-dimethyl-3-cyclohexene-1-carboxylic acid
CID 4440688
{4-(4-Methylphenyl)-2-[(3-methylphenyl)amino]-1,3-thiazol-5-yl}acetic acid
CID 956720
{4-(4-Methylphenyl)-2-[(4-methylphenyl)amino]-1,3-thiazol-5-yl}acetic acid
CID 956764
3-({[4-(4-Isobutylphenyl)-5-methyl-1,3-thiazol-2-yl]amino}carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 4154397

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid (CID 5205840) is 2-[[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid is Cc1sc(NC(=O)C2CCCCC2C(=O)O)nc1-c1ccc(F)cc1.
What is the InChIKey of 2-[[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is HZCIMJLAYGKQHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3S/c1-10-15(11-6-8-12(19)9-7-11)20-18(25-10)21-16(22)13-4-2-3-5-14(13)17(23)24/h6-9,13-14H,2-5H2,1H3,(H,23,24)(H,20,21,22).
What are the key properties of 2-[[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid?
2-[[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 362.43 g/mol, XLogP of 4.09, 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)-5-methyl-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 5205840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).