5-(cyclohexylamino)-1,3-thiazole-4-carboxylic acid

C10H14N2O2S — CID 12792592

IUPAC5-(cyclohexylamino)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1ncsc1NC1CCCCC1
InChIInChI=1S/C10H14N2O2S/c13-10(14)8-9(15-6-11-8)12-7-4-2-1-3-5-7/h6-7,12H,1-5H2,(H,13,14)
InChIKeyVVYIZRKUKABZJH-UHFFFAOYSA-N
MW226.30 g/mol
LogP2.59
Rot. Bonds3

About 5-(cyclohexylamino)-1,3-thiazole-4-carboxylic acid

5-(cyclohexylamino)-1,3-thiazole-4-carboxylic acid (PubChem CID 12792592) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is 5-(cyclohexylamino)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(cyclohexylamino)-1,3-thiazole-4-carboxylic acid
PubChem CID12792592
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Name5-(cyclohexylamino)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1ncsc1NC1CCCCC1
InChIInChI=1S/C10H14N2O2S/c13-10(14)8-9(15-6-11-8)12-7-4-2-1-3-5-7/h6-7,12H,1-5H2,(H,13,14)
InChIKeyVVYIZRKUKABZJH-UHFFFAOYSA-N
XLogP2.59
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexylamino)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-(cyclohexylamino)-1,3-thiazole-4-carboxylic acid (CID 12792592) is 5-(cyclohexylamino)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-(cyclohexylamino)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-(cyclohexylamino)-1,3-thiazole-4-carboxylic acid is O=C(O)c1ncsc1NC1CCCCC1.
What is the InChIKey of 5-(cyclohexylamino)-1,3-thiazole-4-carboxylic acid?
The InChIKey is VVYIZRKUKABZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c13-10(14)8-9(15-6-11-8)12-7-4-2-1-3-5-7/h6-7,12H,1-5H2,(H,13,14).
What are the key properties of 5-(cyclohexylamino)-1,3-thiazole-4-carboxylic acid?
5-(cyclohexylamino)-1,3-thiazole-4-carboxylic acid has a molecular weight of 226.30 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexylamino)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 12792592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).