1-[[(2-ethyl-4-methyl-1,3-thiazole-5-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid

C15H22N2O3S — CID 120544431

IUPAC1-[[(2-ethyl-4-methyl-1,3-thiazole-5-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
SMILESCCc1nc(C)c(C(=O)NCC2(C(=O)O)CCCCC2)s1
InChIInChI=1S/C15H22N2O3S/c1-3-11-17-10(2)12(21-11)13(18)16-9-15(14(19)20)7-5-4-6-8-15/h3-9H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyWPHMSAKPXVSQEV-UHFFFAOYSA-N
MW310.42 g/mol
LogP2.78
Rot. Bonds5

About 1-[[(2-ethyl-4-methyl-1,3-thiazole-5-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid

1-[[(2-ethyl-4-methyl-1,3-thiazole-5-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 120544431) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 1-[[(2-ethyl-4-methyl-1,3-thiazole-5-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(2-ethyl-4-methyl-1,3-thiazole-5-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
PubChem CID120544431
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name1-[[(2-ethyl-4-methyl-1,3-thiazole-5-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
SMILESCCc1nc(C)c(C(=O)NCC2(C(=O)O)CCCCC2)s1
InChIInChI=1S/C15H22N2O3S/c1-3-11-17-10(2)12(21-11)13(18)16-9-15(14(19)20)7-5-4-6-8-15/h3-9H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyWPHMSAKPXVSQEV-UHFFFAOYSA-N
XLogP2.78
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(4-methyl-2-propyl-1,3-thiazole-5-carbonyl)amino]methyl]oxane-4-carboxylic acid
CID 120542951
1-[[[2-methyl-4-(2-methylpropyl)-1,3-thiazole-5-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 120544503
1-[[(4-methyl-1,3-thiazole-5-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 115435889
4-[[[2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carbonyl]amino]methyl]oxane-4-carboxylic acid
CID 120542359
1-[[(4-ethylthiadiazole-5-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 81361690
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-[[(4,5-dimethyl-1,3-thiazol-2-yl)amino]methyl]cyclohexane-1-carboxylic acid
CID 115436140
1-[[[2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 120544577
1-[[(3-bromothiophene-2-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 81367156
1-[[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 81361778
1-[(ethoxycarbonylamino)methyl]cyclohexane-1-carboxylic acid
CID 115435935

Frequently Asked Questions

What is the IUPAC name of 1-[[(2-ethyl-4-methyl-1,3-thiazole-5-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[(2-ethyl-4-methyl-1,3-thiazole-5-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid (CID 120544431) is 1-[[(2-ethyl-4-methyl-1,3-thiazole-5-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[(2-ethyl-4-methyl-1,3-thiazole-5-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[(2-ethyl-4-methyl-1,3-thiazole-5-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid is CCc1nc(C)c(C(=O)NCC2(C(=O)O)CCCCC2)s1.
What is the InChIKey of 1-[[(2-ethyl-4-methyl-1,3-thiazole-5-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is WPHMSAKPXVSQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-3-11-17-10(2)12(21-11)13(18)16-9-15(14(19)20)7-5-4-6-8-15/h3-9H2,1-2H3,(H,16,18)(H,19,20).
What are the key properties of 1-[[(2-ethyl-4-methyl-1,3-thiazole-5-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid?
1-[[(2-ethyl-4-methyl-1,3-thiazole-5-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 310.42 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2-ethyl-4-methyl-1,3-thiazole-5-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120544431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).