cis-(1S,2R)-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylate

C15H15N2O3S2- — CID 6966078

IUPACcis-(1S,2R)-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylate
SMILESO=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1nc(-c2cccs2)cs1
InChIInChI=1S/C15H16N2O3S2/c18-13(9-4-1-2-5-10(9)14(19)20)17-15-16-11(8-22-15)12-6-3-7-21-12/h3,6-10H,1-2,4-5H2,(H,19,20)(H,16,17,18)/p-1/t9-,10+/m1/s1
InChIKeyVCETXPQBXFFOCP-ZJUUUORDSA-M
MW335.43 g/mol
LogP2.37
Rot. Bonds4

About cis-(1S,2R)-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylate

cis-(1S,2R)-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylate (PubChem CID 6966078) has the molecular formula C15H15N2O3S2- and a molecular weight of 335.43 g/mol. Its IUPAC name is cis-(1S,2R)-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namecis-(1S,2R)-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylate
PubChem CID6966078
Molecular FormulaC15H15N2O3S2-
Molecular Weight335.43 g/mol
Exact Mass335.05
IUPAC Namecis-(1S,2R)-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylate
SMILESO=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1nc(-c2cccs2)cs1
InChIInChI=1S/C15H16N2O3S2/c18-13(9-4-1-2-5-10(9)14(19)20)17-15-16-11(8-22-15)12-6-3-7-21-12/h3,6-10H,1-2,4-5H2,(H,19,20)(H,16,17,18)/p-1/t9-,10+/m1/s1
InChIKeyVCETXPQBXFFOCP-ZJUUUORDSA-M
XLogP2.37
TPSA82.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze cis-(1S,2R)-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cis-(1S,2R)-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylate
CID 6958915
2-cyclopentyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 17404263
2,2,3,3-tetramethyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide
CID 23944638
(1S,2S,3S,4R)-3-[(4-thiophen-2-yl-1,3-thiazol-2-yl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 51373083
cis-(1S,2R)-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 1000957
2-[(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 4252560
1-methylsulfonyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 43040962
2,2-dimethyl-3-[(4-thiophen-2-yl-1,3-thiazol-2-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 56763088
N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 42896496
(3S)-1-(4-chlorobenzoyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 27282898
3-(cyclopropanecarbonylamino)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide
CID 51149967
(3R)-1-(furan-2-carbonyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 51930797

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylate?
The IUPAC name of cis-(1S,2R)-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylate (CID 6966078) is cis-(1S,2R)-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylate.
What is the SMILES notation for cis-(1S,2R)-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylate?
The canonical SMILES for cis-(1S,2R)-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylate is O=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1nc(-c2cccs2)cs1.
What is the InChIKey of cis-(1S,2R)-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylate?
The InChIKey is VCETXPQBXFFOCP-ZJUUUORDSA-M. The full InChI is InChI=1S/C15H16N2O3S2/c18-13(9-4-1-2-5-10(9)14(19)20)17-15-16-11(8-22-15)12-6-3-7-21-12/h3,6-10H,1-2,4-5H2,(H,19,20)(H,16,17,18)/p-1/t9-,10+/m1/s1.
What are the key properties of cis-(1S,2R)-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylate?
cis-(1S,2R)-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylate has a molecular weight of 335.43 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylate is sourced from PubChem (CID 6966078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).