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

C13H18N2O4S — CID 43245285

IUPAC1-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]cyclohexane-1-carboxylic acid
SMILESCc1csc(=O)n1CC(=O)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C13H18N2O4S/c1-9-8-20-12(19)15(9)7-10(16)14-13(11(17)18)5-3-2-4-6-13/h8H,2-7H2,1H3,(H,14,16)(H,17,18)
InChIKeyDYRSJHUNNHQXHK-UHFFFAOYSA-N
MW298.36 g/mol
LogP1.12
Rot. Bonds4

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

1-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 43245285) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is 1-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]cyclohexane-1-carboxylic acid
PubChem CID43245285
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC Name1-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]cyclohexane-1-carboxylic acid
SMILESCc1csc(=O)n1CC(=O)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C13H18N2O4S/c1-9-8-20-12(19)15(9)7-10(16)14-13(11(17)18)5-3-2-4-6-13/h8H,2-7H2,1H3,(H,14,16)(H,17,18)
InChIKeyDYRSJHUNNHQXHK-UHFFFAOYSA-N
XLogP1.12
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]cyclohexane-1-carboxylic acid (CID 43245285) is 1-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 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)CCCCC1.
What is the InChIKey of 1-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is DYRSJHUNNHQXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-9-8-20-12(19)15(9)7-10(16)14-13(11(17)18)5-3-2-4-6-13/h8H,2-7H2,1H3,(H,14,16)(H,17,18).
What are the key properties of 1-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]cyclohexane-1-carboxylic acid?
1-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 298.36 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 43245285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).