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

C14H24N2O3S — CID 63780755

IUPAC2-methyl-3-[methyl-(3-methylcyclohexyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCC1CCCC(N(C)C(=O)N2C(C)SCC2C(=O)O)C1
InChIInChI=1S/C14H24N2O3S/c1-9-5-4-6-11(7-9)15(3)14(19)16-10(2)20-8-12(16)13(17)18/h9-12H,4-8H2,1-3H3,(H,17,18)
InChIKeyNHVMZUIKSAIJPO-UHFFFAOYSA-N
MW300.42 g/mol
LogP2.46
Rot. Bonds2

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

2-methyl-3-[methyl-(3-methylcyclohexyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63780755) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is 2-methyl-3-[methyl-(3-methylcyclohexyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-3-[methyl-(3-methylcyclohexyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID63780755
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC Name2-methyl-3-[methyl-(3-methylcyclohexyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCC1CCCC(N(C)C(=O)N2C(C)SCC2C(=O)O)C1
InChIInChI=1S/C14H24N2O3S/c1-9-5-4-6-11(7-9)15(3)14(19)16-10(2)20-8-12(16)13(17)18/h9-12H,4-8H2,1-3H3,(H,17,18)
InChIKeyNHVMZUIKSAIJPO-UHFFFAOYSA-N
XLogP2.46
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl-(3-methylcyclohexyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-methyl-3-[methyl-(3-methylcyclohexyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid (CID 63780755) is 2-methyl-3-[methyl-(3-methylcyclohexyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-methyl-3-[methyl-(3-methylcyclohexyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-methyl-3-[methyl-(3-methylcyclohexyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid is CC1CCCC(N(C)C(=O)N2C(C)SCC2C(=O)O)C1.
What is the InChIKey of 2-methyl-3-[methyl-(3-methylcyclohexyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is NHVMZUIKSAIJPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-9-5-4-6-11(7-9)15(3)14(19)16-10(2)20-8-12(16)13(17)18/h9-12H,4-8H2,1-3H3,(H,17,18).
What are the key properties of 2-methyl-3-[methyl-(3-methylcyclohexyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
2-methyl-3-[methyl-(3-methylcyclohexyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 300.42 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl-(3-methylcyclohexyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63780755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).