3-(1,3-thiazol-4-yl)-N-(2,4,4-trimethylcyclohexyl)propanamide

C15H24N2OS — CID 71979364

IUPAC3-(1,3-thiazol-4-yl)-N-(2,4,4-trimethylcyclohexyl)propanamide
SMILESCC1CC(C)(C)CCC1NC(=O)CCc1cscn1
InChIInChI=1S/C15H24N2OS/c1-11-8-15(2,3)7-6-13(11)17-14(18)5-4-12-9-19-10-16-12/h9-11,13H,4-8H2,1-3H3,(H,17,18)
InChIKeyISJQOSNBZODZLU-UHFFFAOYSA-N
MW280.44 g/mol
LogP3.41
Rot. Bonds4

About 3-(1,3-thiazol-4-yl)-N-(2,4,4-trimethylcyclohexyl)propanamide

3-(1,3-thiazol-4-yl)-N-(2,4,4-trimethylcyclohexyl)propanamide (PubChem CID 71979364) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is 3-(1,3-thiazol-4-yl)-N-(2,4,4-trimethylcyclohexyl)propanamide.

Molecular Properties

Compound Name3-(1,3-thiazol-4-yl)-N-(2,4,4-trimethylcyclohexyl)propanamide
PubChem CID71979364
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name3-(1,3-thiazol-4-yl)-N-(2,4,4-trimethylcyclohexyl)propanamide
SMILESCC1CC(C)(C)CCC1NC(=O)CCc1cscn1
InChIInChI=1S/C15H24N2OS/c1-11-8-15(2,3)7-6-13(11)17-14(18)5-4-12-9-19-10-16-12/h9-11,13H,4-8H2,1-3H3,(H,17,18)
InChIKeyISJQOSNBZODZLU-UHFFFAOYSA-N
XLogP3.41
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-thiazol-4-yl)-N-(2,4,4-trimethylcyclohexyl)propanamide?
The IUPAC name of 3-(1,3-thiazol-4-yl)-N-(2,4,4-trimethylcyclohexyl)propanamide (CID 71979364) is 3-(1,3-thiazol-4-yl)-N-(2,4,4-trimethylcyclohexyl)propanamide.
What is the SMILES notation for 3-(1,3-thiazol-4-yl)-N-(2,4,4-trimethylcyclohexyl)propanamide?
The canonical SMILES for 3-(1,3-thiazol-4-yl)-N-(2,4,4-trimethylcyclohexyl)propanamide is CC1CC(C)(C)CCC1NC(=O)CCc1cscn1.
What is the InChIKey of 3-(1,3-thiazol-4-yl)-N-(2,4,4-trimethylcyclohexyl)propanamide?
The InChIKey is ISJQOSNBZODZLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-11-8-15(2,3)7-6-13(11)17-14(18)5-4-12-9-19-10-16-12/h9-11,13H,4-8H2,1-3H3,(H,17,18).
What are the key properties of 3-(1,3-thiazol-4-yl)-N-(2,4,4-trimethylcyclohexyl)propanamide?
3-(1,3-thiazol-4-yl)-N-(2,4,4-trimethylcyclohexyl)propanamide has a molecular weight of 280.44 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-thiazol-4-yl)-N-(2,4,4-trimethylcyclohexyl)propanamide is sourced from PubChem (CID 71979364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).