2-[methyl-(3-methylcyclohexyl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid

C15H24N2O2S — CID 62764608

IUPAC2-[methyl-(3-methylcyclohexyl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid
SMILESCCCc1nc(N(C)C2CCCC(C)C2)sc1C(=O)O
InChIInChI=1S/C15H24N2O2S/c1-4-6-12-13(14(18)19)20-15(16-12)17(3)11-8-5-7-10(2)9-11/h10-11H,4-9H2,1-3H3,(H,18,19)
InChIKeyWLEYVNIBTTXCQX-UHFFFAOYSA-N
MW296.44 g/mol
LogP3.81
Rot. Bonds5

About 2-[methyl-(3-methylcyclohexyl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid

2-[methyl-(3-methylcyclohexyl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid (PubChem CID 62764608) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 2-[methyl-(3-methylcyclohexyl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[methyl-(3-methylcyclohexyl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid
PubChem CID62764608
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name2-[methyl-(3-methylcyclohexyl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid
SMILESCCCc1nc(N(C)C2CCCC(C)C2)sc1C(=O)O
InChIInChI=1S/C15H24N2O2S/c1-4-6-12-13(14(18)19)20-15(16-12)17(3)11-8-5-7-10(2)9-11/h10-11H,4-9H2,1-3H3,(H,18,19)
InChIKeyWLEYVNIBTTXCQX-UHFFFAOYSA-N
XLogP3.81
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(3-methylcyclohexyl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[methyl-(3-methylcyclohexyl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid (CID 62764608) is 2-[methyl-(3-methylcyclohexyl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[methyl-(3-methylcyclohexyl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[methyl-(3-methylcyclohexyl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid is CCCc1nc(N(C)C2CCCC(C)C2)sc1C(=O)O.
What is the InChIKey of 2-[methyl-(3-methylcyclohexyl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is WLEYVNIBTTXCQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-4-6-12-13(14(18)19)20-15(16-12)17(3)11-8-5-7-10(2)9-11/h10-11H,4-9H2,1-3H3,(H,18,19).
What are the key properties of 2-[methyl-(3-methylcyclohexyl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid?
2-[methyl-(3-methylcyclohexyl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 296.44 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(3-methylcyclohexyl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 62764608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).