2-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid

C12H16N2O3S — CID 2969362

IUPAC2-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCc1cnc(NC(=O)C2CCCCC2C(=O)O)s1
InChIInChI=1S/C12H16N2O3S/c1-7-6-13-12(18-7)14-10(15)8-4-2-3-5-9(8)11(16)17/h6,8-9H,2-5H2,1H3,(H,16,17)(H,13,14,15)
InChIKeyOHKVKHXJDOPCAO-UHFFFAOYSA-N
MW268.34 g/mol
LogP2.28
Rot. Bonds3

About 2-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid

2-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 2969362) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is 2-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID2969362
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC Name2-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCc1cnc(NC(=O)C2CCCCC2C(=O)O)s1
InChIInChI=1S/C12H16N2O3S/c1-7-6-13-12(18-7)14-10(15)8-4-2-3-5-9(8)11(16)17/h6,8-9H,2-5H2,1H3,(H,16,17)(H,13,14,15)
InChIKeyOHKVKHXJDOPCAO-UHFFFAOYSA-N
XLogP2.28
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 ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

trans-(1R,2R)-2-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylate
CID 2304237
N-(5-methyl-1,3-thiazol-2-yl)cyclopropanecarboxamide
CID 3432578
cis-(1R,2S)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 2169381
1-cyclohexyl-3-(5-methyl-1,3-thiazol-2-yl)urea
CID 16729615
2-methyl-1-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 79382851
1-cyclobutyl-3-(5-methyl-1,3-thiazol-2-yl)urea
CID 115617610
N-(5-methyl-1,3-thiazol-2-yl)oxolane-2-carboxamide
CID 2971267
4-[cyclohexyl-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 87412592
(2R)-1-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 55150045
cis-(1S,2R)-2-(1,3,4-thiadiazol-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 868773
trans-(1R,2R)-2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 95706153
2-methyl-N-(5-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 106738614

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid (CID 2969362) is 2-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid is Cc1cnc(NC(=O)C2CCCCC2C(=O)O)s1.
What is the InChIKey of 2-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is OHKVKHXJDOPCAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c1-7-6-13-12(18-7)14-10(15)8-4-2-3-5-9(8)11(16)17/h6,8-9H,2-5H2,1H3,(H,16,17)(H,13,14,15).
What are the key properties of 2-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid?
2-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 268.34 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 2969362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).