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

C12H16N2O3S — CID 24707971

IUPAC1-[(4-methyl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCc1ncsc1C(=O)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C12H16N2O3S/c1-8-9(18-7-13-8)10(15)14-12(11(16)17)5-3-2-4-6-12/h7H,2-6H2,1H3,(H,14,15)(H,16,17)
InChIKeyUUKWLQYPMXNGCA-UHFFFAOYSA-N
MW268.34 g/mol
LogP1.97
Rot. Bonds3

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

1-[(4-methyl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 24707971) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is 1-[(4-methyl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(4-methyl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID24707971
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC Name1-[(4-methyl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCc1ncsc1C(=O)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C12H16N2O3S/c1-8-9(18-7-13-8)10(15)14-12(11(16)17)5-3-2-4-6-12/h7H,2-6H2,1H3,(H,14,15)(H,16,17)
InChIKeyUUKWLQYPMXNGCA-UHFFFAOYSA-N
XLogP1.97
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 51.97
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-[[4-(Trifluoromethyl)-1,3-thiazole-5-carbonyl]amino]hexanoic acid
CID 84558096
N-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 154842841
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
6-[(4-Methyl-1,3-thiazole-5-carbonyl)amino]hexanoic acid
CID 18072622
1-(4-Methyl-1,3-thiazole-5-carbonyl)piperidine-2-carboxylic acid
CID 18073193
7-[(4-Methyl-1,3-thiazole-5-carbonyl)amino]heptanoic acid
CID 24690047
(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

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methyl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(4-methyl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 24707971) is 1-[(4-methyl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(4-methyl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(4-methyl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid is Cc1ncsc1C(=O)NC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-[(4-methyl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is UUKWLQYPMXNGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c1-8-9(18-7-13-8)10(15)14-12(11(16)17)5-3-2-4-6-12/h7H,2-6H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 1-[(4-methyl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid?
1-[(4-methyl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 268.34 g/mol, XLogP of 1.97, 3 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]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 24707971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).