4-[(1,3-thiazole-4-carbonylamino)methyl]cyclohexane-1-carboxylic acid

C12H16N2O3S — CID 79526408

IUPAC4-[(1,3-thiazole-4-carbonylamino)methyl]cyclohexane-1-carboxylic acid
SMILESO=C(NCC1CCC(C(=O)O)CC1)c1cscn1
InChIInChI=1S/C12H16N2O3S/c15-11(10-6-18-7-14-10)13-5-8-1-3-9(4-2-8)12(16)17/h6-9H,1-5H2,(H,13,15)(H,16,17)
InChIKeyFAHUOFQGGXWORW-UHFFFAOYSA-N
MW268.34 g/mol
LogP1.76
Rot. Bonds4

About 4-[(1,3-thiazole-4-carbonylamino)methyl]cyclohexane-1-carboxylic acid

4-[(1,3-thiazole-4-carbonylamino)methyl]cyclohexane-1-carboxylic acid (PubChem CID 79526408) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is 4-[(1,3-thiazole-4-carbonylamino)methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(1,3-thiazole-4-carbonylamino)methyl]cyclohexane-1-carboxylic acid
PubChem CID79526408
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC Name4-[(1,3-thiazole-4-carbonylamino)methyl]cyclohexane-1-carboxylic acid
SMILESO=C(NCC1CCC(C(=O)O)CC1)c1cscn1
InChIInChI=1S/C12H16N2O3S/c15-11(10-6-18-7-14-10)13-5-8-1-3-9(4-2-8)12(16)17/h6-9H,1-5H2,(H,13,15)(H,16,17)
InChIKeyFAHUOFQGGXWORW-UHFFFAOYSA-N
XLogP1.76
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 ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-chlorocyclopentyl)methyl]-1,3-thiazole-4-carboxamide
CID 106127398
N-[[2-(bromomethyl)cyclopentyl]methyl]-1,3-thiazole-4-carboxamide
CID 114317015
N-[(1-methylpiperidin-3-yl)methyl]-1,3-thiazole-4-carboxamide
CID 63049614
N-[[1-[(2S)-2-phenylcyclopropanecarbonyl]piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide
CID 58933589
N-[(1-pent-2-ynylpiperidin-4-yl)methyl]-1,3-thiazole-4-carboxamide
CID 131950069
4-[[(4-methylthiophene-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79803145
methyl 2-[(2R,5S)-1-(cyclopropylmethyl)-5-[(1,3-thiazole-4-carbonylamino)methyl]pyrrolidin-2-yl]acetate
CID 165420303
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3-thiazole-4-carboxamide
CID 63048022
4-(1,3-thiazol-4-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63824173
N-(2-chloro-2-cyclopropylethyl)-1,3-thiazole-4-carboxamide
CID 114304998
N-[3-hydroxy-2-(hydroxymethyl)propyl]-1,3-thiazole-4-carboxamide
CID 143320313
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-1,3-thiazole-4-carboxamide
CID 65124143

Frequently Asked Questions

What is the IUPAC name of 4-[(1,3-thiazole-4-carbonylamino)methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(1,3-thiazole-4-carbonylamino)methyl]cyclohexane-1-carboxylic acid (CID 79526408) is 4-[(1,3-thiazole-4-carbonylamino)methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(1,3-thiazole-4-carbonylamino)methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(1,3-thiazole-4-carbonylamino)methyl]cyclohexane-1-carboxylic acid is O=C(NCC1CCC(C(=O)O)CC1)c1cscn1.
What is the InChIKey of 4-[(1,3-thiazole-4-carbonylamino)methyl]cyclohexane-1-carboxylic acid?
The InChIKey is FAHUOFQGGXWORW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c15-11(10-6-18-7-14-10)13-5-8-1-3-9(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-thiazole-4-carbonylamino)methyl]cyclohexane-1-carboxylic acid?
4-[(1,3-thiazole-4-carbonylamino)methyl]cyclohexane-1-carboxylic acid has a molecular weight of 268.34 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,3-thiazole-4-carbonylamino)methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 79526408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).