3-[(3,4-dimethylcyclohexyl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid

C14H24N2O3S — CID 64743912

IUPAC3-[(3,4-dimethylcyclohexyl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
SMILESCC1CCC(NC(=O)N2C(C)SCC2C(=O)O)CC1C
InChIInChI=1S/C14H24N2O3S/c1-8-4-5-11(6-9(8)2)15-14(19)16-10(3)20-7-12(16)13(17)18/h8-12H,4-7H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyCRYCCOAMJCXEJJ-UHFFFAOYSA-N
MW300.42 g/mol
LogP2.37
Rot. Bonds2

About 3-[(3,4-dimethylcyclohexyl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid

3-[(3,4-dimethylcyclohexyl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 64743912) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is 3-[(3,4-dimethylcyclohexyl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-[(3,4-dimethylcyclohexyl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID64743912
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC Name3-[(3,4-dimethylcyclohexyl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
SMILESCC1CCC(NC(=O)N2C(C)SCC2C(=O)O)CC1C
InChIInChI=1S/C14H24N2O3S/c1-8-4-5-11(6-9(8)2)15-14(19)16-10(3)20-7-12(16)13(17)18/h8-12H,4-7H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyCRYCCOAMJCXEJJ-UHFFFAOYSA-N
XLogP2.37
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2,2-dimethyloxan-4-yl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 83028518
3-[(2-aminocyclohexyl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 55237660
2-methyl-3-[(2-phenylcyclopropyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63780462
3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylcarbamoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63779533
3-(3-ethylpentan-3-ylcarbamoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 65042791
(2S,4S)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazolidine-4-carboxylic acid
CID 93478051
3-(1-cyclopropylpropan-2-ylcarbamoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63995740
3-(2-bicyclo[2.2.1]heptanylmethylcarbamoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63773782
3-(2-cyclobutylacetyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 103161930
2-methyl-3-[2-(methylamino)propanoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63792869
2-methyl-3-(piperidine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 55235129
3-[2-(dimethylamino)ethylcarbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63792064

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dimethylcyclohexyl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-[(3,4-dimethylcyclohexyl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid (CID 64743912) is 3-[(3,4-dimethylcyclohexyl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-[(3,4-dimethylcyclohexyl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-[(3,4-dimethylcyclohexyl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid is CC1CCC(NC(=O)N2C(C)SCC2C(=O)O)CC1C.
What is the InChIKey of 3-[(3,4-dimethylcyclohexyl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is CRYCCOAMJCXEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-8-4-5-11(6-9(8)2)15-14(19)16-10(3)20-7-12(16)13(17)18/h8-12H,4-7H2,1-3H3,(H,15,19)(H,17,18).
What are the key properties of 3-[(3,4-dimethylcyclohexyl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid?
3-[(3,4-dimethylcyclohexyl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 300.42 g/mol, XLogP of 2.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dimethylcyclohexyl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 64743912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).