2-methyl-1-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]cyclohexane-1-carboxylic acid

C14H20N2O4S — CID 61293400

IUPAC2-methyl-1-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]cyclohexane-1-carboxylic acid
SMILESCc1csc(=O)n1CC(=O)NC1(C(=O)O)CCCCC1C
InChIInChI=1S/C14H20N2O4S/c1-9-5-3-4-6-14(9,12(18)19)15-11(17)7-16-10(2)8-21-13(16)20/h8-9H,3-7H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyQUSFTHYXPTXJPD-UHFFFAOYSA-N
MW312.39 g/mol
LogP1.37
Rot. Bonds4

About 2-methyl-1-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]cyclohexane-1-carboxylic acid

2-methyl-1-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 61293400) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is 2-methyl-1-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]cyclohexane-1-carboxylic acid
PubChem CID61293400
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Name2-methyl-1-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]cyclohexane-1-carboxylic acid
SMILESCc1csc(=O)n1CC(=O)NC1(C(=O)O)CCCCC1C
InChIInChI=1S/C14H20N2O4S/c1-9-5-3-4-6-14(9,12(18)19)15-11(17)7-16-10(2)8-21-13(16)20/h8-9H,3-7H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyQUSFTHYXPTXJPD-UHFFFAOYSA-N
XLogP1.37
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-methyl-1-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]cyclohexane-1-carboxylic acid with MolForge

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Related Compounds

1-methyl-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 82759878
N-cyclopentylsulfonyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 97047069
2-methyl-1-[[2-(triazol-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 113291650
1-[(2-methoxyacetyl)amino]-2-methylcyclohexane-1-carboxylic acid
CID 61295410
3-(2-cyclohexyl-2-oxoethyl)-4-methyl-1,3-thiazol-2-one
CID 115626502
N-[2-(hydroxymethyl)cyclohexyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 103798648
1-(3-methoxypropanoylamino)-2-methylcyclohexane-1-carboxylic acid
CID 62590402
2-methyl-1-(pentanoylamino)cyclohexane-1-carboxylic acid
CID 61293760
1-acetamido-2-methylcyclohexane-1-carboxylic acid
CID 61292640
1-[(5-iodothiophene-3-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid
CID 79686107
1-[[2-(2-chlorophenyl)acetyl]amino]-2-methylcyclohexane-1-carboxylic acid
CID 61294678
1-[[2-[acetyl(methyl)amino]acetyl]amino]-2-methylcyclohexane-1-carboxylic acid
CID 61294871

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-methyl-1-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]cyclohexane-1-carboxylic acid (CID 61293400) is 2-methyl-1-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-methyl-1-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-methyl-1-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]cyclohexane-1-carboxylic acid is Cc1csc(=O)n1CC(=O)NC1(C(=O)O)CCCCC1C.
What is the InChIKey of 2-methyl-1-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is QUSFTHYXPTXJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-9-5-3-4-6-14(9,12(18)19)15-11(17)7-16-10(2)8-21-13(16)20/h8-9H,3-7H2,1-2H3,(H,15,17)(H,18,19).
What are the key properties of 2-methyl-1-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]cyclohexane-1-carboxylic acid?
2-methyl-1-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 312.39 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 61293400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).