5-(cyclohex-3-ene-1-carbonylamino)-3-methyl-1,2-thiazole-4-carboxylic acid

C12H14N2O3S — CID 60869186

IUPAC5-(cyclohex-3-ene-1-carbonylamino)-3-methyl-1,2-thiazole-4-carboxylic acid
SMILESCc1nsc(NC(=O)C2CC=CCC2)c1C(=O)O
InChIInChI=1S/C12H14N2O3S/c1-7-9(12(16)17)11(18-14-7)13-10(15)8-5-3-2-4-6-8/h2-3,8H,4-6H2,1H3,(H,13,15)(H,16,17)
InChIKeyKINJKPGEUQXDTO-UHFFFAOYSA-N
MW266.32 g/mol
LogP2.44
Rot. Bonds3

About 5-(cyclohex-3-ene-1-carbonylamino)-3-methyl-1,2-thiazole-4-carboxylic acid

5-(cyclohex-3-ene-1-carbonylamino)-3-methyl-1,2-thiazole-4-carboxylic acid (PubChem CID 60869186) has the molecular formula C12H14N2O3S and a molecular weight of 266.32 g/mol. Its IUPAC name is 5-(cyclohex-3-ene-1-carbonylamino)-3-methyl-1,2-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(cyclohex-3-ene-1-carbonylamino)-3-methyl-1,2-thiazole-4-carboxylic acid
PubChem CID60869186
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC Name5-(cyclohex-3-ene-1-carbonylamino)-3-methyl-1,2-thiazole-4-carboxylic acid
SMILESCc1nsc(NC(=O)C2CC=CCC2)c1C(=O)O
InChIInChI=1S/C12H14N2O3S/c1-7-9(12(16)17)11(18-14-7)13-10(15)8-5-3-2-4-6-8/h2-3,8H,4-6H2,1H3,(H,13,15)(H,16,17)
InChIKeyKINJKPGEUQXDTO-UHFFFAOYSA-N
XLogP2.44
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-methyl-5-[(2-methylpiperidine-4-carbonyl)amino]-1,2-thiazole-4-carboxylic acid
CID 106740296
5-[[2-(cyclopropylamino)acetyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79401944
N-[4-(cyclohex-3-ene-1-carbonylamino)-2,5-dimethylphenyl]cyclohex-3-ene-1-carboxamide
CID 42907468
3,6-dichloro-2-(cyclohex-3-ene-1-carbonylamino)benzoic acid
CID 107048676
N-[4-(cyclohex-3-ene-1-carbonylamino)phenyl]cyclohex-3-ene-1-carboxamide
CID 171577227
(1S)-N-(1,3,4-thiadiazol-2-yl)cyclohex-3-ene-1-carboxamide
CID 29369503
(1R)-N-(2,4,6-trimethylphenyl)cyclohex-3-ene-1-carboxamide
CID 51474501
(1R)-N-(1,3,4-thiadiazol-2-yl)cyclohex-3-ene-1-carboxamide
CID 29369502
ethyl 5-(cyclohexanecarbonylamino)-3-methyl-1,2-thiazole-4-carboxylate
CID 6470295
N-(4-acetamidophenyl)cyclohex-3-ene-1-carboxamide
CID 17394995
3-methyl-5-[(4-methylbenzoyl)amino]-1,2-thiazole-4-carboxylic acid
CID 60871159
N-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohex-3-ene-1-carboxamide
CID 47045402

Frequently Asked Questions

What is the IUPAC name of 5-(cyclohex-3-ene-1-carbonylamino)-3-methyl-1,2-thiazole-4-carboxylic acid?
The IUPAC name of 5-(cyclohex-3-ene-1-carbonylamino)-3-methyl-1,2-thiazole-4-carboxylic acid (CID 60869186) is 5-(cyclohex-3-ene-1-carbonylamino)-3-methyl-1,2-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-(cyclohex-3-ene-1-carbonylamino)-3-methyl-1,2-thiazole-4-carboxylic acid?
The canonical SMILES for 5-(cyclohex-3-ene-1-carbonylamino)-3-methyl-1,2-thiazole-4-carboxylic acid is Cc1nsc(NC(=O)C2CC=CCC2)c1C(=O)O.
What is the InChIKey of 5-(cyclohex-3-ene-1-carbonylamino)-3-methyl-1,2-thiazole-4-carboxylic acid?
The InChIKey is KINJKPGEUQXDTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S/c1-7-9(12(16)17)11(18-14-7)13-10(15)8-5-3-2-4-6-8/h2-3,8H,4-6H2,1H3,(H,13,15)(H,16,17).
What are the key properties of 5-(cyclohex-3-ene-1-carbonylamino)-3-methyl-1,2-thiazole-4-carboxylic acid?
5-(cyclohex-3-ene-1-carbonylamino)-3-methyl-1,2-thiazole-4-carboxylic acid has a molecular weight of 266.32 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohex-3-ene-1-carbonylamino)-3-methyl-1,2-thiazole-4-carboxylic acid is sourced from PubChem (CID 60869186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).