5-amino-2-(3,3-difluorocyclohexyl)-4-hydroxy-6-(1,3-thiazol-4-yl)hexanamide

C15H23F2N3O2S — CID 162568071

IUPAC5-amino-2-(3,3-difluorocyclohexyl)-4-hydroxy-6-(1,3-thiazol-4-yl)hexanamide
SMILESNC(=O)C(CC(O)C(N)Cc1cscn1)C1CCCC(F)(F)C1
InChIInChI=1S/C15H23F2N3O2S/c16-15(17)3-1-2-9(6-15)11(14(19)22)5-13(21)12(18)4-10-7-23-8-20-10/h7-9,11-13,21H,1-6,18H2,(H2,19,22)
InChIKeyKJSBAADSWJZNGF-UHFFFAOYSA-N
MW347.43 g/mol
LogP1.69
Rot. Bonds7

About 5-amino-2-(3,3-difluorocyclohexyl)-4-hydroxy-6-(1,3-thiazol-4-yl)hexanamide

5-amino-2-(3,3-difluorocyclohexyl)-4-hydroxy-6-(1,3-thiazol-4-yl)hexanamide (PubChem CID 162568071) has the molecular formula C15H23F2N3O2S and a molecular weight of 347.43 g/mol. Its IUPAC name is 5-amino-2-(3,3-difluorocyclohexyl)-4-hydroxy-6-(1,3-thiazol-4-yl)hexanamide.

Molecular Properties

Compound Name5-amino-2-(3,3-difluorocyclohexyl)-4-hydroxy-6-(1,3-thiazol-4-yl)hexanamide
PubChem CID162568071
Molecular FormulaC15H23F2N3O2S
Molecular Weight347.43 g/mol
Exact Mass347.15
IUPAC Name5-amino-2-(3,3-difluorocyclohexyl)-4-hydroxy-6-(1,3-thiazol-4-yl)hexanamide
SMILESNC(=O)C(CC(O)C(N)Cc1cscn1)C1CCCC(F)(F)C1
InChIInChI=1S/C15H23F2N3O2S/c16-15(17)3-1-2-9(6-15)11(14(19)22)5-13(21)12(18)4-10-7-23-8-20-10/h7-9,11-13,21H,1-6,18H2,(H2,19,22)
InChIKeyKJSBAADSWJZNGF-UHFFFAOYSA-N
XLogP1.69
TPSA102.23 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(3,3-difluorocyclohexyl)-4-hydroxy-6-(1,3-thiazol-4-yl)hexanamide?
The IUPAC name of 5-amino-2-(3,3-difluorocyclohexyl)-4-hydroxy-6-(1,3-thiazol-4-yl)hexanamide (CID 162568071) is 5-amino-2-(3,3-difluorocyclohexyl)-4-hydroxy-6-(1,3-thiazol-4-yl)hexanamide.
What is the SMILES notation for 5-amino-2-(3,3-difluorocyclohexyl)-4-hydroxy-6-(1,3-thiazol-4-yl)hexanamide?
The canonical SMILES for 5-amino-2-(3,3-difluorocyclohexyl)-4-hydroxy-6-(1,3-thiazol-4-yl)hexanamide is NC(=O)C(CC(O)C(N)Cc1cscn1)C1CCCC(F)(F)C1.
What is the InChIKey of 5-amino-2-(3,3-difluorocyclohexyl)-4-hydroxy-6-(1,3-thiazol-4-yl)hexanamide?
The InChIKey is KJSBAADSWJZNGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2N3O2S/c16-15(17)3-1-2-9(6-15)11(14(19)22)5-13(21)12(18)4-10-7-23-8-20-10/h7-9,11-13,21H,1-6,18H2,(H2,19,22).
What are the key properties of 5-amino-2-(3,3-difluorocyclohexyl)-4-hydroxy-6-(1,3-thiazol-4-yl)hexanamide?
5-amino-2-(3,3-difluorocyclohexyl)-4-hydroxy-6-(1,3-thiazol-4-yl)hexanamide has a molecular weight of 347.43 g/mol, XLogP of 1.69, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(3,3-difluorocyclohexyl)-4-hydroxy-6-(1,3-thiazol-4-yl)hexanamide is sourced from PubChem (CID 162568071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).