2-(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)propanoic acid

C13H19NO2S — CID 116885510

IUPAC2-(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)propanoic acid
SMILESCc1nc(C2CCCCC2)sc1C(C)C(=O)O
InChIInChI=1S/C13H19NO2S/c1-8(13(15)16)11-9(2)14-12(17-11)10-6-4-3-5-7-10/h8,10H,3-7H2,1-2H3,(H,15,16)
InChIKeyCPZZJKKORBMYTA-UHFFFAOYSA-N
MW253.37 g/mol
LogP3.69
Rot. Bonds3

About 2-(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)propanoic acid

2-(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)propanoic acid (PubChem CID 116885510) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is 2-(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)propanoic acid.

Molecular Properties

Compound Name2-(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)propanoic acid
PubChem CID116885510
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name2-(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)propanoic acid
SMILESCc1nc(C2CCCCC2)sc1C(C)C(=O)O
InChIInChI=1S/C13H19NO2S/c1-8(13(15)16)11-9(2)14-12(17-11)10-6-4-3-5-7-10/h8,10H,3-7H2,1-2H3,(H,15,16)
InChIKeyCPZZJKKORBMYTA-UHFFFAOYSA-N
XLogP3.69
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)propanoic acid?
The IUPAC name of 2-(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)propanoic acid (CID 116885510) is 2-(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)propanoic acid.
What is the SMILES notation for 2-(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)propanoic acid?
The canonical SMILES for 2-(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)propanoic acid is Cc1nc(C2CCCCC2)sc1C(C)C(=O)O.
What is the InChIKey of 2-(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)propanoic acid?
The InChIKey is CPZZJKKORBMYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-8(13(15)16)11-9(2)14-12(17-11)10-6-4-3-5-7-10/h8,10H,3-7H2,1-2H3,(H,15,16).
What are the key properties of 2-(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)propanoic acid?
2-(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)propanoic acid has a molecular weight of 253.37 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)propanoic acid is sourced from PubChem (CID 116885510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).