1-[[(4-methyl-1,3-thiazole-5-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid

C13H18N2O3S — CID 115435889

IUPAC1-[[(4-methyl-1,3-thiazole-5-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
SMILESCc1ncsc1C(=O)NCC1(C(=O)O)CCCCC1
InChIInChI=1S/C13H18N2O3S/c1-9-10(19-8-15-9)11(16)14-7-13(12(17)18)5-3-2-4-6-13/h8H,2-7H2,1H3,(H,14,16)(H,17,18)
InChIKeyBEMMEWZGIHCARH-UHFFFAOYSA-N
MW282.36 g/mol
LogP2.22
Rot. Bonds4

About 1-[[(4-methyl-1,3-thiazole-5-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid

1-[[(4-methyl-1,3-thiazole-5-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 115435889) has the molecular formula C13H18N2O3S and a molecular weight of 282.36 g/mol. Its IUPAC name is 1-[[(4-methyl-1,3-thiazole-5-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(4-methyl-1,3-thiazole-5-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
PubChem CID115435889
Molecular FormulaC13H18N2O3S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC Name1-[[(4-methyl-1,3-thiazole-5-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
SMILESCc1ncsc1C(=O)NCC1(C(=O)O)CCCCC1
InChIInChI=1S/C13H18N2O3S/c1-9-10(19-8-15-9)11(16)14-7-13(12(17)18)5-3-2-4-6-13/h8H,2-7H2,1H3,(H,14,16)(H,17,18)
InChIKeyBEMMEWZGIHCARH-UHFFFAOYSA-N
XLogP2.22
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[(4-methyl-1,3-thiazole-5-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[(4-methyl-1,3-thiazole-5-carbonyl)amino]methyl]oxane-4-carboxylic acid
CID 115438507
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 80711605
1-[(4-methyl-1,3-thiazole-5-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 43341636
1-[[(2-ethyl-4-methyl-1,3-thiazole-5-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 120544431
1-[[(2-methyl-1,3-thiazole-5-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 103791308
1-[[(3-bromothiophene-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 113309582
1-[[(3-bromothiophene-2-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 81367156
1-[[(5-methyl-1,2-oxazole-4-carbonyl)amino]methyl]cycloheptane-1-carboxylic acid
CID 115443407
1-[[[2-methyl-4-(2-methylpropyl)-1,3-thiazole-5-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 120544503
N-(cyclopropylmethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 126987991
1-[[(5-methylpyrazine-2-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 81362499
1-[[(2-methyl-1,3-thiazol-4-yl)methylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid
CID 115436821

Frequently Asked Questions

What is the IUPAC name of 1-[[(4-methyl-1,3-thiazole-5-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[(4-methyl-1,3-thiazole-5-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid (CID 115435889) is 1-[[(4-methyl-1,3-thiazole-5-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[(4-methyl-1,3-thiazole-5-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[(4-methyl-1,3-thiazole-5-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid is Cc1ncsc1C(=O)NCC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-[[(4-methyl-1,3-thiazole-5-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is BEMMEWZGIHCARH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-9-10(19-8-15-9)11(16)14-7-13(12(17)18)5-3-2-4-6-13/h8H,2-7H2,1H3,(H,14,16)(H,17,18).
What are the key properties of 1-[[(4-methyl-1,3-thiazole-5-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid?
1-[[(4-methyl-1,3-thiazole-5-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 282.36 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(4-methyl-1,3-thiazole-5-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 115435889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).