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

C15H20N2O5S — CID 2886980

IUPAC2-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCCOC(=O)c1sc(NC(=O)C2CCCCC2C(=O)O)nc1C
InChIInChI=1S/C15H20N2O5S/c1-3-22-14(21)11-8(2)16-15(23-11)17-12(18)9-6-4-5-7-10(9)13(19)20/h9-10H,3-7H2,1-2H3,(H,19,20)(H,16,17,18)
InChIKeyUIKCOPIIIRATGX-UHFFFAOYSA-N
MW340.40 g/mol
LogP2.46
Rot. Bonds5

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

2-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 2886980) has the molecular formula C15H20N2O5S and a molecular weight of 340.40 g/mol. Its IUPAC name is 2-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID2886980
Molecular FormulaC15H20N2O5S
Molecular Weight340.40 g/mol
Exact Mass340.11
IUPAC Name2-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCCOC(=O)c1sc(NC(=O)C2CCCCC2C(=O)O)nc1C
InChIInChI=1S/C15H20N2O5S/c1-3-22-14(21)11-8(2)16-15(23-11)17-12(18)9-6-4-5-7-10(9)13(19)20/h9-10H,3-7H2,1-2H3,(H,19,20)(H,16,17,18)
InChIKeyUIKCOPIIIRATGX-UHFFFAOYSA-N
XLogP2.46
TPSA105.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid with MolForge

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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]cyclohexane-1-carboxylic Acid
CID 4620666
3-{[5-(Ethoxycarbonyl)-4-methyl-1,3-thiazol-2-yl]carbamoyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 2930822
6-{[5-(Ethoxycarbonyl)-4-methyl-1,3-thiazol-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid
CID 2862539
4-{[5-(Ethoxycarbonyl)-4-methyl-1,3-thiazol-2-yl]amino}-4-oxobutanoic acid
CID 4179321
Ethyl 2-[[(2,6-difluorocyclohexyl)-hydroxymethyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 123509949
2-{[(5-Acetyl-4-methyl-1,3-thiazol-2-yl)amino]carbonyl}cyclohexanecarboxylic acid
CID 19579234
Ethyl 4-methyl-2-[(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexanecarbonyl)amino]-1,3-thiazole-5-carboxylate
CID 3628663
Ethyl 2-[(2-cyclohexylacetyl)amino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
CID 84559053
Ethyl 2-[(4-butylcyclohexanecarbonyl)amino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
CID 84559344
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

Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid (CID 2886980) is 2-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid is CCOC(=O)c1sc(NC(=O)C2CCCCC2C(=O)O)nc1C.
What is the InChIKey of 2-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is UIKCOPIIIRATGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O5S/c1-3-22-14(21)11-8(2)16-15(23-11)17-12(18)9-6-4-5-7-10(9)13(19)20/h9-10H,3-7H2,1-2H3,(H,19,20)(H,16,17,18).
What are the key properties of 2-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid?
2-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 340.40 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 2886980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).