4-[[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]amino]cyclohexane-1-carboxylic acid

C13H18N2O4S — CID 119229809

IUPAC4-[[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]amino]cyclohexane-1-carboxylic acid
SMILESCOCc1nc(C(=O)NC2CCC(C(=O)O)CC2)cs1
InChIInChI=1S/C13H18N2O4S/c1-19-6-11-15-10(7-20-11)12(16)14-9-4-2-8(3-5-9)13(17)18/h7-9H,2-6H2,1H3,(H,14,16)(H,17,18)
InChIKeyRCOMLXDPMOLBDD-UHFFFAOYSA-N
MW298.36 g/mol
LogP1.66
Rot. Bonds5

About 4-[[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]amino]cyclohexane-1-carboxylic acid

4-[[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 119229809) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is 4-[[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]amino]cyclohexane-1-carboxylic acid
PubChem CID119229809
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC Name4-[[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]amino]cyclohexane-1-carboxylic acid
SMILESCOCc1nc(C(=O)NC2CCC(C(=O)O)CC2)cs1
InChIInChI=1S/C13H18N2O4S/c1-19-6-11-15-10(7-20-11)12(16)14-9-4-2-8(3-5-9)13(17)18/h7-9H,2-6H2,1H3,(H,14,16)(H,17,18)
InChIKeyRCOMLXDPMOLBDD-UHFFFAOYSA-N
XLogP1.66
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2-benzyl-1,3-thiazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119230199
4-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119229160
N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-2-(methoxymethyl)-1,3-thiazole-4-carboxamide
CID 48579146
N-cyclopropyl-2-[(2-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 24713029
4-[[4-(methoxymethyl)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 60809682
2-(aminomethyl)-N-(3-methoxycyclopentyl)-1,3-thiazole-4-carboxamide
CID 114118049
2-[(2-methoxyphenoxy)methyl]-N-[4-(3-phenylpropanoylamino)cyclohexyl]-1,3-thiazole-4-carboxamide
CID 46106113
2-(aminomethyl)-N-[1-(2-methoxyethyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119861365
2-(2-aminoethyl)-N-(4-propan-2-ylcyclohexyl)-1,3-thiazole-4-carboxamide
CID 120637442
N-[(1R,3S)-3-(hydroxymethyl)-2,3-dihydro-1H-inden-1-yl]-2-(methoxymethyl)-1,3-thiazole-4-carboxamide
CID 99778762
N-[(1S,3S)-3-(hydroxymethyl)-2,3-dihydro-1H-inden-1-yl]-2-(methoxymethyl)-1,3-thiazole-4-carboxamide
CID 99778763
N-[4-[(4-tert-butylbenzoyl)amino]cyclohexyl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 46105856

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]amino]cyclohexane-1-carboxylic acid (CID 119229809) is 4-[[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]amino]cyclohexane-1-carboxylic acid is COCc1nc(C(=O)NC2CCC(C(=O)O)CC2)cs1.
What is the InChIKey of 4-[[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is RCOMLXDPMOLBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-19-6-11-15-10(7-20-11)12(16)14-9-4-2-8(3-5-9)13(17)18/h7-9H,2-6H2,1H3,(H,14,16)(H,17,18).
What are the key properties of 4-[[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]amino]cyclohexane-1-carboxylic acid?
4-[[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 298.36 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 119229809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).