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

C14H20N2O3S — CID 43341538

IUPAC4-ethyl-1-[(4-methyl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCCC1CCC(NC(=O)c2scnc2C)(C(=O)O)CC1
InChIInChI=1S/C14H20N2O3S/c1-3-10-4-6-14(7-5-10,13(18)19)16-12(17)11-9(2)15-8-20-11/h8,10H,3-7H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyBOKYDBCQKFVQEV-UHFFFAOYSA-N
MW296.39 g/mol
LogP2.60
Rot. Bonds4

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

4-ethyl-1-[(4-methyl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 43341538) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 4-ethyl-1-[(4-methyl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-[(4-methyl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID43341538
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name4-ethyl-1-[(4-methyl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCCC1CCC(NC(=O)c2scnc2C)(C(=O)O)CC1
InChIInChI=1S/C14H20N2O3S/c1-3-10-4-6-14(7-5-10,13(18)19)16-12(17)11-9(2)15-8-20-11/h8,10H,3-7H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyBOKYDBCQKFVQEV-UHFFFAOYSA-N
XLogP2.60
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 52.60
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
(2S)-2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]heptanoic acid
CID 97337438
2-[3-(4-Methyl-1,3-thiazole-5-carbonyl)-3-azaspiro[5.5]undecan-9-yl]acetic acid
CID 97527923
3-Methyl-2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]pentanoic acid
CID 18071894
4-Methyl-2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]pentanoic acid
CID 18071993
7-[(4-Methyl-1,3-thiazole-5-carbonyl)amino]heptanoic acid
CID 24690047
1-[(4-Methyl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 24707971
(2S,3S)-3-methyl-2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]pentanoic acid
CID 28161992
(2R)-4-methyl-2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]pentanoic acid
CID 28162212
(2S)-4-methyl-2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]pentanoic acid
CID 28162214
4-({[(2,4-Dimethyl-1,3-thiazol-5-yl)carbonyl]amino}methyl)cyclohexanecarboxylic acid
CID 29127428

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[(4-methyl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-ethyl-1-[(4-methyl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 43341538) is 4-ethyl-1-[(4-methyl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-[(4-methyl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-ethyl-1-[(4-methyl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid is CCC1CCC(NC(=O)c2scnc2C)(C(=O)O)CC1.
What is the InChIKey of 4-ethyl-1-[(4-methyl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is BOKYDBCQKFVQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-3-10-4-6-14(7-5-10,13(18)19)16-12(17)11-9(2)15-8-20-11/h8,10H,3-7H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 4-ethyl-1-[(4-methyl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid?
4-ethyl-1-[(4-methyl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 296.39 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[(4-methyl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 43341538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).