1-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-4-ethylcyclohexane-1-carboxylic acid

C15H22N2O3S — CID 43360632

IUPAC1-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-4-ethylcyclohexane-1-carboxylic acid
SMILESCCC1CCC(NC(=O)c2sc(C)nc2C)(C(=O)O)CC1
InChIInChI=1S/C15H22N2O3S/c1-4-11-5-7-15(8-6-11,14(19)20)17-13(18)12-9(2)16-10(3)21-12/h11H,4-8H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyLBLJNLLADXMZQP-UHFFFAOYSA-N
MW310.42 g/mol
LogP2.91
Rot. Bonds4

About 1-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-4-ethylcyclohexane-1-carboxylic acid

1-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-4-ethylcyclohexane-1-carboxylic acid (PubChem CID 43360632) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 1-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-4-ethylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-4-ethylcyclohexane-1-carboxylic acid
PubChem CID43360632
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name1-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-4-ethylcyclohexane-1-carboxylic acid
SMILESCCC1CCC(NC(=O)c2sc(C)nc2C)(C(=O)O)CC1
InChIInChI=1S/C15H22N2O3S/c1-4-11-5-7-15(8-6-11,14(19)20)17-13(18)12-9(2)16-10(3)21-12/h11H,4-8H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyLBLJNLLADXMZQP-UHFFFAOYSA-N
XLogP2.91
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 1-[(4-methyl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylate
CID 47240129
1-[(2-Butyl-4-methyl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 72048210
(2R)-3-cyclohexyl-2-[(4-methyl-2-piperidin-3-yl-1,3-thiazole-5-carbonyl)amino]propanoic acid;2,2,2-trifluoroacetic acid
CID 166274413
3-[4-[(4-Methyl-2-piperidin-4-yl-1,3-thiazole-5-carbonyl)amino]cyclohexyl]propanoic acid;hydrobromide
CID 18969514
3-[4-[(4-Methyl-2-piperidin-4-yl-1,3-thiazole-5-carbonyl)amino]cyclohexyl]propanoic acid
CID 18969515
1-[(4-Methyl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 24707971
4-({[(2,4-Dimethyl-1,3-thiazol-5-yl)carbonyl]amino}methyl)cyclohexanecarboxylic acid
CID 29127428
[1-({[(2,4-Dimethyl-1,3-thiazol-5-yl)carbonyl]amino}methyl)cyclohexyl]acetic acid
CID 39310871
1-[(2,4-Dimethyl-1,3-thiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 43169429
1-[(2,4-Dimethyl-1,3-thiazole-5-carbonyl)amino]-4-methylcyclohexane-1-carboxylic acid
CID 43172588
1-[(2,4-Dimethyl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 43239166
4-Methyl-1-[(4-methyl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 43341422

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-4-ethylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-4-ethylcyclohexane-1-carboxylic acid (CID 43360632) is 1-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-4-ethylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-4-ethylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-4-ethylcyclohexane-1-carboxylic acid is CCC1CCC(NC(=O)c2sc(C)nc2C)(C(=O)O)CC1.
What is the InChIKey of 1-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-4-ethylcyclohexane-1-carboxylic acid?
The InChIKey is LBLJNLLADXMZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-4-11-5-7-15(8-6-11,14(19)20)17-13(18)12-9(2)16-10(3)21-12/h11H,4-8H2,1-3H3,(H,17,18)(H,19,20).
What are the key properties of 1-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-4-ethylcyclohexane-1-carboxylic acid?
1-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-4-ethylcyclohexane-1-carboxylic acid has a molecular weight of 310.42 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-4-ethylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 43360632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).