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

C19H28F2N2OS — CID 123485669

IUPAC3-cyclohexyl-N-[5-[(3,4-difluorocyclohexyl)methyl]-1,3-thiazol-2-yl]propanamide
SMILESO=C(CCC1CCCCC1)Nc1ncc(CC2CCC(F)C(F)C2)s1
InChIInChI=1S/C19H28F2N2OS/c20-16-8-6-14(11-17(16)21)10-15-12-22-19(25-15)23-18(24)9-7-13-4-2-1-3-5-13/h12-14,16-17H,1-11H2,(H,22,23,24)
InChIKeyITICNUWKGFHBJB-UHFFFAOYSA-N
MW370.51 g/mol
LogP5.46
Rot. Bonds6

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

3-cyclohexyl-N-[5-[(3,4-difluorocyclohexyl)methyl]-1,3-thiazol-2-yl]propanamide (PubChem CID 123485669) has the molecular formula C19H28F2N2OS and a molecular weight of 370.51 g/mol. Its IUPAC name is 3-cyclohexyl-N-[5-[(3,4-difluorocyclohexyl)methyl]-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name3-cyclohexyl-N-[5-[(3,4-difluorocyclohexyl)methyl]-1,3-thiazol-2-yl]propanamide
PubChem CID123485669
Molecular FormulaC19H28F2N2OS
Molecular Weight370.51 g/mol
Exact Mass370.19
IUPAC Name3-cyclohexyl-N-[5-[(3,4-difluorocyclohexyl)methyl]-1,3-thiazol-2-yl]propanamide
SMILESO=C(CCC1CCCCC1)Nc1ncc(CC2CCC(F)C(F)C2)s1
InChIInChI=1S/C19H28F2N2OS/c20-16-8-6-14(11-17(16)21)10-15-12-22-19(25-15)23-18(24)9-7-13-4-2-1-3-5-13/h12-14,16-17H,1-11H2,(H,22,23,24)
InChIKeyITICNUWKGFHBJB-UHFFFAOYSA-N
XLogP5.46
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.51
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-[5-[(3,4-difluorocyclohexyl)methyl]-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 3-cyclohexyl-N-[5-[(3,4-difluorocyclohexyl)methyl]-1,3-thiazol-2-yl]propanamide (CID 123485669) is 3-cyclohexyl-N-[5-[(3,4-difluorocyclohexyl)methyl]-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 3-cyclohexyl-N-[5-[(3,4-difluorocyclohexyl)methyl]-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 3-cyclohexyl-N-[5-[(3,4-difluorocyclohexyl)methyl]-1,3-thiazol-2-yl]propanamide is O=C(CCC1CCCCC1)Nc1ncc(CC2CCC(F)C(F)C2)s1.
What is the InChIKey of 3-cyclohexyl-N-[5-[(3,4-difluorocyclohexyl)methyl]-1,3-thiazol-2-yl]propanamide?
The InChIKey is ITICNUWKGFHBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28F2N2OS/c20-16-8-6-14(11-17(16)21)10-15-12-22-19(25-15)23-18(24)9-7-13-4-2-1-3-5-13/h12-14,16-17H,1-11H2,(H,22,23,24).
What are the key properties of 3-cyclohexyl-N-[5-[(3,4-difluorocyclohexyl)methyl]-1,3-thiazol-2-yl]propanamide?
3-cyclohexyl-N-[5-[(3,4-difluorocyclohexyl)methyl]-1,3-thiazol-2-yl]propanamide has a molecular weight of 370.51 g/mol, XLogP of 5.46, 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-[(3,4-difluorocyclohexyl)methyl]-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 123485669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).