4-methyl-1-[[(4-methyl-1,3-thiazol-2-yl)amino]methyl]cyclohexane-1-carboxylic acid

C13H20N2O2S — CID 113310399

IUPAC4-methyl-1-[[(4-methyl-1,3-thiazol-2-yl)amino]methyl]cyclohexane-1-carboxylic acid
SMILESCc1csc(NCC2(C(=O)O)CCC(C)CC2)n1
InChIInChI=1S/C13H20N2O2S/c1-9-3-5-13(6-4-9,11(16)17)8-14-12-15-10(2)7-18-12/h7,9H,3-6,8H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyURXPOUGQMRKVHH-UHFFFAOYSA-N
MW268.38 g/mol
LogP3.14
Rot. Bonds4

About 4-methyl-1-[[(4-methyl-1,3-thiazol-2-yl)amino]methyl]cyclohexane-1-carboxylic acid

4-methyl-1-[[(4-methyl-1,3-thiazol-2-yl)amino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 113310399) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 4-methyl-1-[[(4-methyl-1,3-thiazol-2-yl)amino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-[[(4-methyl-1,3-thiazol-2-yl)amino]methyl]cyclohexane-1-carboxylic acid
PubChem CID113310399
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name4-methyl-1-[[(4-methyl-1,3-thiazol-2-yl)amino]methyl]cyclohexane-1-carboxylic acid
SMILESCc1csc(NCC2(C(=O)O)CCC(C)CC2)n1
InChIInChI=1S/C13H20N2O2S/c1-9-3-5-13(6-4-9,11(16)17)8-14-12-15-10(2)7-18-12/h7,9H,3-6,8H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyURXPOUGQMRKVHH-UHFFFAOYSA-N
XLogP3.14
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[(4-methyl-1,3-thiazol-2-yl)amino]methyl]cyclopentane-1-carboxylic acid
CID 115433243
[1-[[(4-methyl-1,3-thiazol-2-yl)amino]methyl]cyclopropyl]methanol
CID 115455218
N-[1-(chloromethyl)-4-methylcyclohexyl]-4-methyl-1,3-thiazol-2-amine
CID 65028722
1-[[(6-methoxypyrazin-2-yl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115441154
1-[[(3-chloro-4-methylthiophene-2-carbonyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 103400251
1-[[(2-carbamoyl-4-pyridinyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115441153
4-methyl-1-[[(4-methylthiophene-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 115440888
2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 51158648
4-methyl-1-[(1,2,5-thiadiazole-3-carbonylamino)methyl]cyclohexane-1-carboxylic acid
CID 113310364
1-[[(5-carbamoyl-2-pyridinyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115441131
1-[[(5-iodothiophene-3-carbonyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115440842
4-methyl-1-[[(1-methyltetrazol-5-yl)amino]methyl]cyclohexane-1-carboxylic acid
CID 113310410

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[[(4-methyl-1,3-thiazol-2-yl)amino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-methyl-1-[[(4-methyl-1,3-thiazol-2-yl)amino]methyl]cyclohexane-1-carboxylic acid (CID 113310399) is 4-methyl-1-[[(4-methyl-1,3-thiazol-2-yl)amino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-methyl-1-[[(4-methyl-1,3-thiazol-2-yl)amino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-methyl-1-[[(4-methyl-1,3-thiazol-2-yl)amino]methyl]cyclohexane-1-carboxylic acid is Cc1csc(NCC2(C(=O)O)CCC(C)CC2)n1.
What is the InChIKey of 4-methyl-1-[[(4-methyl-1,3-thiazol-2-yl)amino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is URXPOUGQMRKVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-9-3-5-13(6-4-9,11(16)17)8-14-12-15-10(2)7-18-12/h7,9H,3-6,8H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 4-methyl-1-[[(4-methyl-1,3-thiazol-2-yl)amino]methyl]cyclohexane-1-carboxylic acid?
4-methyl-1-[[(4-methyl-1,3-thiazol-2-yl)amino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 268.38 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[[(4-methyl-1,3-thiazol-2-yl)amino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 113310399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).