2-cyclohexyl-2-(1,3-thiazole-4-carbonylamino)acetic acid

C12H16N2O3S — CID 55143111

IUPAC2-cyclohexyl-2-(1,3-thiazole-4-carbonylamino)acetic acid
SMILESO=C(NC(C(=O)O)C1CCCCC1)c1cscn1
InChIInChI=1S/C12H16N2O3S/c15-11(9-6-18-7-13-9)14-10(12(16)17)8-4-2-1-3-5-8/h6-8,10H,1-5H2,(H,14,15)(H,16,17)
InChIKeyCTUXDVBRNPUCMN-UHFFFAOYSA-N
MW268.34 g/mol
LogP1.91
Rot. Bonds4

About 2-cyclohexyl-2-(1,3-thiazole-4-carbonylamino)acetic acid

2-cyclohexyl-2-(1,3-thiazole-4-carbonylamino)acetic acid (PubChem CID 55143111) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is 2-cyclohexyl-2-(1,3-thiazole-4-carbonylamino)acetic acid.

Molecular Properties

Compound Name2-cyclohexyl-2-(1,3-thiazole-4-carbonylamino)acetic acid
PubChem CID55143111
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC Name2-cyclohexyl-2-(1,3-thiazole-4-carbonylamino)acetic acid
SMILESO=C(NC(C(=O)O)C1CCCCC1)c1cscn1
InChIInChI=1S/C12H16N2O3S/c15-11(9-6-18-7-13-9)14-10(12(16)17)8-4-2-1-3-5-8/h6-8,10H,1-5H2,(H,14,15)(H,16,17)
InChIKeyCTUXDVBRNPUCMN-UHFFFAOYSA-N
XLogP1.91
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 ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-(1,3-thiazole-4-carbonylamino)acetic acid?
The IUPAC name of 2-cyclohexyl-2-(1,3-thiazole-4-carbonylamino)acetic acid (CID 55143111) is 2-cyclohexyl-2-(1,3-thiazole-4-carbonylamino)acetic acid.
What is the SMILES notation for 2-cyclohexyl-2-(1,3-thiazole-4-carbonylamino)acetic acid?
The canonical SMILES for 2-cyclohexyl-2-(1,3-thiazole-4-carbonylamino)acetic acid is O=C(NC(C(=O)O)C1CCCCC1)c1cscn1.
What is the InChIKey of 2-cyclohexyl-2-(1,3-thiazole-4-carbonylamino)acetic acid?
The InChIKey is CTUXDVBRNPUCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c15-11(9-6-18-7-13-9)14-10(12(16)17)8-4-2-1-3-5-8/h6-8,10H,1-5H2,(H,14,15)(H,16,17).
What are the key properties of 2-cyclohexyl-2-(1,3-thiazole-4-carbonylamino)acetic acid?
2-cyclohexyl-2-(1,3-thiazole-4-carbonylamino)acetic acid has a molecular weight of 268.34 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-(1,3-thiazole-4-carbonylamino)acetic acid is sourced from PubChem (CID 55143111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).