4-[[methyl-(2-methylcyclohexyl)amino]methyl]-1,3-thiazole-2-carboxylic acid

C13H20N2O2S — CID 55005181

IUPAC4-[[methyl-(2-methylcyclohexyl)amino]methyl]-1,3-thiazole-2-carboxylic acid
SMILESCC1CCCCC1N(C)Cc1csc(C(=O)O)n1
InChIInChI=1S/C13H20N2O2S/c1-9-5-3-4-6-11(9)15(2)7-10-8-18-12(14-10)13(16)17/h8-9,11H,3-7H2,1-2H3,(H,16,17)
InChIKeyNYMREWRHVXENRC-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.85
Rot. Bonds4

About 4-[[methyl-(2-methylcyclohexyl)amino]methyl]-1,3-thiazole-2-carboxylic acid

4-[[methyl-(2-methylcyclohexyl)amino]methyl]-1,3-thiazole-2-carboxylic acid (PubChem CID 55005181) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 4-[[methyl-(2-methylcyclohexyl)amino]methyl]-1,3-thiazole-2-carboxylic acid.

Molecular Properties

Compound Name4-[[methyl-(2-methylcyclohexyl)amino]methyl]-1,3-thiazole-2-carboxylic acid
PubChem CID55005181
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name4-[[methyl-(2-methylcyclohexyl)amino]methyl]-1,3-thiazole-2-carboxylic acid
SMILESCC1CCCCC1N(C)Cc1csc(C(=O)O)n1
InChIInChI=1S/C13H20N2O2S/c1-9-5-3-4-6-11(9)15(2)7-10-8-18-12(14-10)13(16)17/h8-9,11H,3-7H2,1-2H3,(H,16,17)
InChIKeyNYMREWRHVXENRC-UHFFFAOYSA-N
XLogP2.85
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[[methyl-(2-methylcyclohexyl)amino]methyl]-1,3-thiazole-2-carboxylic acid with MolForge

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Related Compounds

4-[[cyclopentylmethyl(methyl)amino]methyl]-1,3-thiazole-2-carboxylic acid
CID 63632139
N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-N,2-dimethylcyclohexan-1-amine
CID 66390375
4-[[cyclohexyl(ethyl)amino]methyl]-1,3-thiazole-2-carboxylic acid
CID 43664567
4-[[(2-methylcyclohexyl)methylamino]methyl]-1,3-thiazole-2-carboxylic acid
CID 103243495
4-[[butyl(cyclopropyl)amino]methyl]-1,3-thiazole-2-carboxylic acid
CID 61441767
4-[[methyl(oxan-4-ylmethyl)amino]methyl]-1,3-thiazole-2-carboxylic acid
CID 63711703
4-[[(2-methylcyclopentyl)methylamino]methyl]-1,3-thiazole-2-carboxylic acid
CID 107419483
4-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]methyl]-1,3-thiazole-2-carboxylic acid
CID 61442086
4-ethyl-1,3-thiazole-2-carboxylic acid
CID 39235458
4-[[methyl(pyridin-4-ylmethyl)amino]methyl]-1,3-thiazole-2-carboxylic acid
CID 43664654
N-ethyl-N-[4-[[(2-hydroxycyclohexyl)-methylamino]methyl]-1,3-thiazol-2-yl]acetamide
CID 102636268
N-[(6-chloro-2-pyridinyl)methyl]-N,2-dimethylcyclohexan-1-amine
CID 79046170

Frequently Asked Questions

What is the IUPAC name of 4-[[methyl-(2-methylcyclohexyl)amino]methyl]-1,3-thiazole-2-carboxylic acid?
The IUPAC name of 4-[[methyl-(2-methylcyclohexyl)amino]methyl]-1,3-thiazole-2-carboxylic acid (CID 55005181) is 4-[[methyl-(2-methylcyclohexyl)amino]methyl]-1,3-thiazole-2-carboxylic acid.
What is the SMILES notation for 4-[[methyl-(2-methylcyclohexyl)amino]methyl]-1,3-thiazole-2-carboxylic acid?
The canonical SMILES for 4-[[methyl-(2-methylcyclohexyl)amino]methyl]-1,3-thiazole-2-carboxylic acid is CC1CCCCC1N(C)Cc1csc(C(=O)O)n1.
What is the InChIKey of 4-[[methyl-(2-methylcyclohexyl)amino]methyl]-1,3-thiazole-2-carboxylic acid?
The InChIKey is NYMREWRHVXENRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-9-5-3-4-6-11(9)15(2)7-10-8-18-12(14-10)13(16)17/h8-9,11H,3-7H2,1-2H3,(H,16,17).
What are the key properties of 4-[[methyl-(2-methylcyclohexyl)amino]methyl]-1,3-thiazole-2-carboxylic acid?
4-[[methyl-(2-methylcyclohexyl)amino]methyl]-1,3-thiazole-2-carboxylic acid has a molecular weight of 268.38 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl-(2-methylcyclohexyl)amino]methyl]-1,3-thiazole-2-carboxylic acid is sourced from PubChem (CID 55005181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).