3-cyclohexyl-N-[5-[(2,3,4,5,6-pentafluorocyclohexyl)methyl]-1,3-thiazol-2-yl]propanamide

C19H25F5N2OS — CID 123189229

IUPAC3-cyclohexyl-N-[5-[(2,3,4,5,6-pentafluorocyclohexyl)methyl]-1,3-thiazol-2-yl]propanamide
SMILESO=C(CCC1CCCCC1)Nc1ncc(CC2C(F)C(F)C(F)C(F)C2F)s1
InChIInChI=1S/C19H25F5N2OS/c20-14-12(15(21)17(23)18(24)16(14)22)8-11-9-25-19(28-11)26-13(27)7-6-10-4-2-1-3-5-10/h9-10,12,14-18H,1-8H2,(H,25,26,27)
InChIKeyYZBBERRQIGFDJO-UHFFFAOYSA-N
MW424.48 g/mol
LogP5.30
Rot. Bonds6

About 3-cyclohexyl-N-[5-[(2,3,4,5,6-pentafluorocyclohexyl)methyl]-1,3-thiazol-2-yl]propanamide

3-cyclohexyl-N-[5-[(2,3,4,5,6-pentafluorocyclohexyl)methyl]-1,3-thiazol-2-yl]propanamide (PubChem CID 123189229) has the molecular formula C19H25F5N2OS and a molecular weight of 424.48 g/mol. Its IUPAC name is 3-cyclohexyl-N-[5-[(2,3,4,5,6-pentafluorocyclohexyl)methyl]-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name3-cyclohexyl-N-[5-[(2,3,4,5,6-pentafluorocyclohexyl)methyl]-1,3-thiazol-2-yl]propanamide
PubChem CID123189229
Molecular FormulaC19H25F5N2OS
Molecular Weight424.48 g/mol
Exact Mass424.16
IUPAC Name3-cyclohexyl-N-[5-[(2,3,4,5,6-pentafluorocyclohexyl)methyl]-1,3-thiazol-2-yl]propanamide
SMILESO=C(CCC1CCCCC1)Nc1ncc(CC2C(F)C(F)C(F)C(F)C2F)s1
InChIInChI=1S/C19H25F5N2OS/c20-14-12(15(21)17(23)18(24)16(14)22)8-11-9-25-19(28-11)26-13(27)7-6-10-4-2-1-3-5-10/h9-10,12,14-18H,1-8H2,(H,25,26,27)
InChIKeyYZBBERRQIGFDJO-UHFFFAOYSA-N
XLogP5.30
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.48
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-cyclohexyl-N-[5-[(2,3,4,5,6-pentafluorocyclohexyl)methyl]-1,3-thiazol-2-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-[5-[(2,3,4,5,6-pentafluorocyclohexyl)methyl]-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 3-cyclohexyl-N-[5-[(2,3,4,5,6-pentafluorocyclohexyl)methyl]-1,3-thiazol-2-yl]propanamide (CID 123189229) is 3-cyclohexyl-N-[5-[(2,3,4,5,6-pentafluorocyclohexyl)methyl]-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 3-cyclohexyl-N-[5-[(2,3,4,5,6-pentafluorocyclohexyl)methyl]-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 3-cyclohexyl-N-[5-[(2,3,4,5,6-pentafluorocyclohexyl)methyl]-1,3-thiazol-2-yl]propanamide is O=C(CCC1CCCCC1)Nc1ncc(CC2C(F)C(F)C(F)C(F)C2F)s1.
What is the InChIKey of 3-cyclohexyl-N-[5-[(2,3,4,5,6-pentafluorocyclohexyl)methyl]-1,3-thiazol-2-yl]propanamide?
The InChIKey is YZBBERRQIGFDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F5N2OS/c20-14-12(15(21)17(23)18(24)16(14)22)8-11-9-25-19(28-11)26-13(27)7-6-10-4-2-1-3-5-10/h9-10,12,14-18H,1-8H2,(H,25,26,27).
What are the key properties of 3-cyclohexyl-N-[5-[(2,3,4,5,6-pentafluorocyclohexyl)methyl]-1,3-thiazol-2-yl]propanamide?
3-cyclohexyl-N-[5-[(2,3,4,5,6-pentafluorocyclohexyl)methyl]-1,3-thiazol-2-yl]propanamide has a molecular weight of 424.48 g/mol, XLogP of 5.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-[5-[(2,3,4,5,6-pentafluorocyclohexyl)methyl]-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 123189229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).