4-(1,3-thiazol-4-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid

C12H16N2O3S — CID 63824173

IUPAC4-(1,3-thiazol-4-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)NCc2cscn2)CC1
InChIInChI=1S/C12H16N2O3S/c15-11(13-5-10-6-18-7-14-10)8-1-3-9(4-2-8)12(16)17/h6-9H,1-5H2,(H,13,15)(H,16,17)
InChIKeyCBPCTIGOAPMFOF-UHFFFAOYSA-N
MW268.34 g/mol
LogP1.65
Rot. Bonds4

About 4-(1,3-thiazol-4-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid

4-(1,3-thiazol-4-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid (PubChem CID 63824173) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is 4-(1,3-thiazol-4-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(1,3-thiazol-4-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid
PubChem CID63824173
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC Name4-(1,3-thiazol-4-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)NCc2cscn2)CC1
InChIInChI=1S/C12H16N2O3S/c15-11(13-5-10-6-18-7-14-10)8-1-3-9(4-2-8)12(16)17/h6-9H,1-5H2,(H,13,15)(H,16,17)
InChIKeyCBPCTIGOAPMFOF-UHFFFAOYSA-N
XLogP1.65
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1S,6R)-6-(1,3-thiazol-4-ylmethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 95357551
N-(1,3-thiazol-4-ylmethyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 46385752
4-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63783676
4-[(1,3-thiazole-4-carbonylamino)methyl]cyclohexane-1-carboxylic acid
CID 79526408
1-(3-chlorophenyl)sulfonyl-N-(1,3-thiazol-4-ylmethyl)piperidine-4-carboxamide
CID 20973380
2-[(cyclopropanecarbonylamino)methyl]pyridine-4-carboxylic acid
CID 112532887
1-(cyclohexanecarbonyl)-N-[2-(1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide
CID 46390073
2-[2-(1,3-thiazol-4-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 55260652
1-methyl-3-(1,3-thiazol-4-ylmethyl)urea
CID 23548401
3-[2-(1,3-thiazol-4-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 63825588
4-methyl-1-(1,3-thiazol-4-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 63823966
(1S,3S,4S)-3-hydroxy-4-(3-pyrazol-1-ylpropanoylamino)-N-(1,3-thiazol-4-ylmethyl)cyclohexane-1-carboxamide
CID 155912192

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-thiazol-4-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(1,3-thiazol-4-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid (CID 63824173) is 4-(1,3-thiazol-4-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(1,3-thiazol-4-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(1,3-thiazol-4-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid is O=C(O)C1CCC(C(=O)NCc2cscn2)CC1.
What is the InChIKey of 4-(1,3-thiazol-4-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid?
The InChIKey is CBPCTIGOAPMFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c15-11(13-5-10-6-18-7-14-10)8-1-3-9(4-2-8)12(16)17/h6-9H,1-5H2,(H,13,15)(H,16,17).
What are the key properties of 4-(1,3-thiazol-4-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid?
4-(1,3-thiazol-4-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid has a molecular weight of 268.34 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-thiazol-4-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63824173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).