5-(2-cyclohexylethylamino)-1,3-thiazole-4-carboxylic acid

C12H18N2O2S — CID 64629476

IUPAC5-(2-cyclohexylethylamino)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1ncsc1NCCC1CCCCC1
InChIInChI=1S/C12H18N2O2S/c15-12(16)10-11(17-8-14-10)13-7-6-9-4-2-1-3-5-9/h8-9,13H,1-7H2,(H,15,16)
InChIKeyKGOWXQQVLOTGQT-UHFFFAOYSA-N
MW254.35 g/mol
LogP3.22
Rot. Bonds5

About 5-(2-cyclohexylethylamino)-1,3-thiazole-4-carboxylic acid

5-(2-cyclohexylethylamino)-1,3-thiazole-4-carboxylic acid (PubChem CID 64629476) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 5-(2-cyclohexylethylamino)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(2-cyclohexylethylamino)-1,3-thiazole-4-carboxylic acid
PubChem CID64629476
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name5-(2-cyclohexylethylamino)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1ncsc1NCCC1CCCCC1
InChIInChI=1S/C12H18N2O2S/c15-12(16)10-11(17-8-14-10)13-7-6-9-4-2-1-3-5-9/h8-9,13H,1-7H2,(H,15,16)
InChIKeyKGOWXQQVLOTGQT-UHFFFAOYSA-N
XLogP3.22
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclohexylethylamino)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-(2-cyclohexylethylamino)-1,3-thiazole-4-carboxylic acid (CID 64629476) is 5-(2-cyclohexylethylamino)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-(2-cyclohexylethylamino)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-(2-cyclohexylethylamino)-1,3-thiazole-4-carboxylic acid is O=C(O)c1ncsc1NCCC1CCCCC1.
What is the InChIKey of 5-(2-cyclohexylethylamino)-1,3-thiazole-4-carboxylic acid?
The InChIKey is KGOWXQQVLOTGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c15-12(16)10-11(17-8-14-10)13-7-6-9-4-2-1-3-5-9/h8-9,13H,1-7H2,(H,15,16).
What are the key properties of 5-(2-cyclohexylethylamino)-1,3-thiazole-4-carboxylic acid?
5-(2-cyclohexylethylamino)-1,3-thiazole-4-carboxylic acid has a molecular weight of 254.35 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclohexylethylamino)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 64629476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).