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

C14H18N2O5S — CID 87310953

IUPAC2-[(5-methoxycarbonyl-4-methyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCOC(=O)c1sc(NC(=O)C2CCCCC2C(=O)O)nc1C
InChIInChI=1S/C14H18N2O5S/c1-7-10(13(20)21-2)22-14(15-7)16-11(17)8-5-3-4-6-9(8)12(18)19/h8-9H,3-6H2,1-2H3,(H,18,19)(H,15,16,17)
InChIKeyIEFHEOYIRGCXJN-UHFFFAOYSA-N
MW326.37 g/mol
LogP2.07
Rot. Bonds4

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

2-[(5-methoxycarbonyl-4-methyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 87310953) has the molecular formula C14H18N2O5S and a molecular weight of 326.37 g/mol. Its IUPAC name is 2-[(5-methoxycarbonyl-4-methyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(5-methoxycarbonyl-4-methyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID87310953
Molecular FormulaC14H18N2O5S
Molecular Weight326.37 g/mol
Exact Mass326.09
IUPAC Name2-[(5-methoxycarbonyl-4-methyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCOC(=O)c1sc(NC(=O)C2CCCCC2C(=O)O)nc1C
InChIInChI=1S/C14H18N2O5S/c1-7-10(13(20)21-2)22-14(15-7)16-11(17)8-5-3-4-6-9(8)12(18)19/h8-9H,3-6H2,1-2H3,(H,18,19)(H,15,16,17)
InChIKeyIEFHEOYIRGCXJN-UHFFFAOYSA-N
XLogP2.07
TPSA105.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 2-[(cyclohexylcarbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 868821
2-[(4,5-Dimethyl-1,3-thiazol-2-yl)carbamoyl]cyclohexanecarboxylic acid
CID 4620666
3-({[5-(Ethoxycarbonyl)-4-methyl-1,3-thiazol-2-yl]amino}carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 2930822
6-({[5-(Ethoxycarbonyl)-4-methyl-1,3-thiazol-2-yl]amino}carbonyl)-3-cyclohexene-1-carboxylic acid
CID 2862539
4-((5-(Methoxycarbonyl)-4-methylthiazol-2-yl)amino)-4-oxobutanoic acid
CID 716503
2-[(5-Ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 2886980
2-{[(5-Acetyl-4-methyl-1,3-thiazol-2-yl)amino]carbonyl}cyclohexanecarboxylic acid
CID 19579234
Ethyl 2-[(2-cyclohexylacetyl)amino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
CID 84559053
Ethyl 2-(3-cyclohexylpropanoylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
CID 84559448
Ethyl 2-(cyclohexanecarbonylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
CID 84561185
3-[(5-Ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 73129449
Ethyl 2-(3-cyclohexylpropanoylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 903561

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methoxycarbonyl-4-methyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[(5-methoxycarbonyl-4-methyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid (CID 87310953) is 2-[(5-methoxycarbonyl-4-methyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[(5-methoxycarbonyl-4-methyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[(5-methoxycarbonyl-4-methyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid is COC(=O)c1sc(NC(=O)C2CCCCC2C(=O)O)nc1C.
What is the InChIKey of 2-[(5-methoxycarbonyl-4-methyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is IEFHEOYIRGCXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5S/c1-7-10(13(20)21-2)22-14(15-7)16-11(17)8-5-3-4-6-9(8)12(18)19/h8-9H,3-6H2,1-2H3,(H,18,19)(H,15,16,17).
What are the key properties of 2-[(5-methoxycarbonyl-4-methyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid?
2-[(5-methoxycarbonyl-4-methyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 326.37 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methoxycarbonyl-4-methyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 87310953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).