2-[[2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]cyclooctane-1-carboxylic acid

C16H24N2O4S — CID 120532919

IUPAC2-[[2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]cyclooctane-1-carboxylic acid
SMILESCOCc1nc(C)c(C(=O)NC2CCCCCCC2C(=O)O)s1
InChIInChI=1S/C16H24N2O4S/c1-10-14(23-13(17-10)9-22-2)15(19)18-12-8-6-4-3-5-7-11(12)16(20)21/h11-12H,3-9H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyOBIPPROAZNLCPP-UHFFFAOYSA-N
MW340.45 g/mol
LogP2.75
Rot. Bonds5

About 2-[[2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]cyclooctane-1-carboxylic acid

2-[[2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]cyclooctane-1-carboxylic acid (PubChem CID 120532919) has the molecular formula C16H24N2O4S and a molecular weight of 340.45 g/mol. Its IUPAC name is 2-[[2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]cyclooctane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]cyclooctane-1-carboxylic acid
PubChem CID120532919
Molecular FormulaC16H24N2O4S
Molecular Weight340.45 g/mol
Exact Mass340.15
IUPAC Name2-[[2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]cyclooctane-1-carboxylic acid
SMILESCOCc1nc(C)c(C(=O)NC2CCCCCCC2C(=O)O)s1
InChIInChI=1S/C16H24N2O4S/c1-10-14(23-13(17-10)9-22-2)15(19)18-12-8-6-4-3-5-7-11(12)16(20)21/h11-12H,3-9H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyOBIPPROAZNLCPP-UHFFFAOYSA-N
XLogP2.75
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-[(1R,2S)-2-methylcyclohexyl]-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide
CID 28936035
2-(methoxymethyl)-4-methyl-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 110374795
cis-(1R,2S)-2-[(3-methylthiophene-2-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 97161349
3-[[2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]butanoic acid
CID 120522680
2-(aminomethyl)-N-cyclopentyl-4-methyl-1,3-thiazole-5-carboxamide
CID 82117272
N-cycloheptyl-4-methyl-2-[(3-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide
CID 23612936
cis-(1R,2S)-2-[(3-ethylthiophene-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 97031564
2-(methoxymethyl)-4-methyl-N-pentyl-1,3-thiazole-5-carboxamide
CID 110374853
2-[cyclopropyl-[2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]propanoic acid
CID 120519129
2-(methoxymethyl)-4-methyl-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide
CID 110374817
2-(methoxymethyl)-4-methyl-N-(1-phenylethyl)-1,3-thiazole-5-carboxamide
CID 110374805
N-cyclopropyl-2-[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]acetamide
CID 110374533

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]cyclooctane-1-carboxylic acid?
The IUPAC name of 2-[[2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]cyclooctane-1-carboxylic acid (CID 120532919) is 2-[[2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]cyclooctane-1-carboxylic acid.
What is the SMILES notation for 2-[[2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]cyclooctane-1-carboxylic acid?
The canonical SMILES for 2-[[2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]cyclooctane-1-carboxylic acid is COCc1nc(C)c(C(=O)NC2CCCCCCC2C(=O)O)s1.
What is the InChIKey of 2-[[2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]cyclooctane-1-carboxylic acid?
The InChIKey is OBIPPROAZNLCPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-10-14(23-13(17-10)9-22-2)15(19)18-12-8-6-4-3-5-7-11(12)16(20)21/h11-12H,3-9H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 2-[[2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]cyclooctane-1-carboxylic acid?
2-[[2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]cyclooctane-1-carboxylic acid has a molecular weight of 340.45 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]cyclooctane-1-carboxylic acid is sourced from PubChem (CID 120532919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).