2-(1-methoxycyclohexyl)-1,3-thiazole-5-carboxylic acid

C11H15NO3S — CID 116744720

IUPAC2-(1-methoxycyclohexyl)-1,3-thiazole-5-carboxylic acid
SMILESCOC1(c2ncc(C(=O)O)s2)CCCCC1
InChIInChI=1S/C11H15NO3S/c1-15-11(5-3-2-4-6-11)10-12-7-8(16-10)9(13)14/h7H,2-6H2,1H3,(H,13,14)
InChIKeyDWQCDGQDTVGSBH-UHFFFAOYSA-N
MW241.31 g/mol
LogP2.65
Rot. Bonds3

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

2-(1-methoxycyclohexyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 116744720) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is 2-(1-methoxycyclohexyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(1-methoxycyclohexyl)-1,3-thiazole-5-carboxylic acid
PubChem CID116744720
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC Name2-(1-methoxycyclohexyl)-1,3-thiazole-5-carboxylic acid
SMILESCOC1(c2ncc(C(=O)O)s2)CCCCC1
InChIInChI=1S/C11H15NO3S/c1-15-11(5-3-2-4-6-11)10-12-7-8(16-10)9(13)14/h7H,2-6H2,1H3,(H,13,14)
InChIKeyDWQCDGQDTVGSBH-UHFFFAOYSA-N
XLogP2.65
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxycyclohexyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(1-methoxycyclohexyl)-1,3-thiazole-5-carboxylic acid (CID 116744720) is 2-(1-methoxycyclohexyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(1-methoxycyclohexyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(1-methoxycyclohexyl)-1,3-thiazole-5-carboxylic acid is COC1(c2ncc(C(=O)O)s2)CCCCC1.
What is the InChIKey of 2-(1-methoxycyclohexyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is DWQCDGQDTVGSBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S/c1-15-11(5-3-2-4-6-11)10-12-7-8(16-10)9(13)14/h7H,2-6H2,1H3,(H,13,14).
What are the key properties of 2-(1-methoxycyclohexyl)-1,3-thiazole-5-carboxylic acid?
2-(1-methoxycyclohexyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 241.31 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxycyclohexyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 116744720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).