4-(1,3-thiazole-4-carbonylamino)cyclohexane-1-carboxylic acid

C11H14N2O3S — CID 55142728

IUPAC4-(1,3-thiazole-4-carbonylamino)cyclohexane-1-carboxylic acid
SMILESO=C(NC1CCC(C(=O)O)CC1)c1cscn1
InChIInChI=1S/C11H14N2O3S/c14-10(9-5-17-6-12-9)13-8-3-1-7(2-4-8)11(15)16/h5-8H,1-4H2,(H,13,14)(H,15,16)
InChIKeyVGOLHPTXHUORRO-UHFFFAOYSA-N
MW254.31 g/mol
LogP1.52
Rot. Bonds3

About 4-(1,3-thiazole-4-carbonylamino)cyclohexane-1-carboxylic acid

4-(1,3-thiazole-4-carbonylamino)cyclohexane-1-carboxylic acid (PubChem CID 55142728) has the molecular formula C11H14N2O3S and a molecular weight of 254.31 g/mol. Its IUPAC name is 4-(1,3-thiazole-4-carbonylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(1,3-thiazole-4-carbonylamino)cyclohexane-1-carboxylic acid
PubChem CID55142728
Molecular FormulaC11H14N2O3S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC Name4-(1,3-thiazole-4-carbonylamino)cyclohexane-1-carboxylic acid
SMILESO=C(NC1CCC(C(=O)O)CC1)c1cscn1
InChIInChI=1S/C11H14N2O3S/c14-10(9-5-17-6-12-9)13-8-3-1-7(2-4-8)11(15)16/h5-8H,1-4H2,(H,13,14)(H,15,16)
InChIKeyVGOLHPTXHUORRO-UHFFFAOYSA-N
XLogP1.52
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-thiazole-4-carbonylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(1,3-thiazole-4-carbonylamino)cyclohexane-1-carboxylic acid (CID 55142728) is 4-(1,3-thiazole-4-carbonylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(1,3-thiazole-4-carbonylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(1,3-thiazole-4-carbonylamino)cyclohexane-1-carboxylic acid is O=C(NC1CCC(C(=O)O)CC1)c1cscn1.
What is the InChIKey of 4-(1,3-thiazole-4-carbonylamino)cyclohexane-1-carboxylic acid?
The InChIKey is VGOLHPTXHUORRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S/c14-10(9-5-17-6-12-9)13-8-3-1-7(2-4-8)11(15)16/h5-8H,1-4H2,(H,13,14)(H,15,16).
What are the key properties of 4-(1,3-thiazole-4-carbonylamino)cyclohexane-1-carboxylic acid?
4-(1,3-thiazole-4-carbonylamino)cyclohexane-1-carboxylic acid has a molecular weight of 254.31 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-thiazole-4-carbonylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 55142728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).