2-(1-methoxy-4-methylcyclohexyl)-4-propyl-1,3-thiazole-5-carboxylic acid

C15H23NO3S — CID 114359570

IUPAC2-(1-methoxy-4-methylcyclohexyl)-4-propyl-1,3-thiazole-5-carboxylic acid
SMILESCCCc1nc(C2(OC)CCC(C)CC2)sc1C(=O)O
InChIInChI=1S/C15H23NO3S/c1-4-5-11-12(13(17)18)20-14(16-11)15(19-3)8-6-10(2)7-9-15/h10H,4-9H2,1-3H3,(H,17,18)
InChIKeyZALKTZKVLMUUAC-UHFFFAOYSA-N
MW297.42 g/mol
LogP3.85
Rot. Bonds5

About 2-(1-methoxy-4-methylcyclohexyl)-4-propyl-1,3-thiazole-5-carboxylic acid

2-(1-methoxy-4-methylcyclohexyl)-4-propyl-1,3-thiazole-5-carboxylic acid (PubChem CID 114359570) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is 2-(1-methoxy-4-methylcyclohexyl)-4-propyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(1-methoxy-4-methylcyclohexyl)-4-propyl-1,3-thiazole-5-carboxylic acid
PubChem CID114359570
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC Name2-(1-methoxy-4-methylcyclohexyl)-4-propyl-1,3-thiazole-5-carboxylic acid
SMILESCCCc1nc(C2(OC)CCC(C)CC2)sc1C(=O)O
InChIInChI=1S/C15H23NO3S/c1-4-5-11-12(13(17)18)20-14(16-11)15(19-3)8-6-10(2)7-9-15/h10H,4-9H2,1-3H3,(H,17,18)
InChIKeyZALKTZKVLMUUAC-UHFFFAOYSA-N
XLogP3.85
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxy-4-methylcyclohexyl)-4-propyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(1-methoxy-4-methylcyclohexyl)-4-propyl-1,3-thiazole-5-carboxylic acid (CID 114359570) is 2-(1-methoxy-4-methylcyclohexyl)-4-propyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(1-methoxy-4-methylcyclohexyl)-4-propyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(1-methoxy-4-methylcyclohexyl)-4-propyl-1,3-thiazole-5-carboxylic acid is CCCc1nc(C2(OC)CCC(C)CC2)sc1C(=O)O.
What is the InChIKey of 2-(1-methoxy-4-methylcyclohexyl)-4-propyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is ZALKTZKVLMUUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-4-5-11-12(13(17)18)20-14(16-11)15(19-3)8-6-10(2)7-9-15/h10H,4-9H2,1-3H3,(H,17,18).
What are the key properties of 2-(1-methoxy-4-methylcyclohexyl)-4-propyl-1,3-thiazole-5-carboxylic acid?
2-(1-methoxy-4-methylcyclohexyl)-4-propyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 297.42 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxy-4-methylcyclohexyl)-4-propyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 114359570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).