(4,4-difluoropiperidin-1-yl)-[4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]morpholin-2-yl]methanone

C16H23F2N3O2S — CID 163345885

IUPAC(4,4-difluoropiperidin-1-yl)-[4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]morpholin-2-yl]methanone
SMILESCc1nc(C)c(CN2CCOC(C(=O)N3CCC(F)(F)CC3)C2)s1
InChIInChI=1S/C16H23F2N3O2S/c1-11-14(24-12(2)19-11)10-20-7-8-23-13(9-20)15(22)21-5-3-16(17,18)4-6-21/h13H,3-10H2,1-2H3
InChIKeySRJGFKOUOJOPTE-UHFFFAOYSA-N
MW359.44 g/mol
LogP2.22
Rot. Bonds3

About (4,4-difluoropiperidin-1-yl)-[4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]morpholin-2-yl]methanone

(4,4-difluoropiperidin-1-yl)-[4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]morpholin-2-yl]methanone (PubChem CID 163345885) has the molecular formula C16H23F2N3O2S and a molecular weight of 359.44 g/mol. Its IUPAC name is (4,4-difluoropiperidin-1-yl)-[4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]morpholin-2-yl]methanone.

Molecular Properties

Compound Name(4,4-difluoropiperidin-1-yl)-[4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]morpholin-2-yl]methanone
PubChem CID163345885
Molecular FormulaC16H23F2N3O2S
Molecular Weight359.44 g/mol
Exact Mass359.15
IUPAC Name(4,4-difluoropiperidin-1-yl)-[4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]morpholin-2-yl]methanone
SMILESCc1nc(C)c(CN2CCOC(C(=O)N3CCC(F)(F)CC3)C2)s1
InChIInChI=1S/C16H23F2N3O2S/c1-11-14(24-12(2)19-11)10-20-7-8-23-13(9-20)15(22)21-5-3-16(17,18)4-6-21/h13H,3-10H2,1-2H3
InChIKeySRJGFKOUOJOPTE-UHFFFAOYSA-N
XLogP2.22
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.44
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4,4-difluoropiperidin-1-yl)-[4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]morpholin-2-yl]methanone 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 (4,4-difluoropiperidin-1-yl)-[4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]morpholin-2-yl]methanone?
The IUPAC name of (4,4-difluoropiperidin-1-yl)-[4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]morpholin-2-yl]methanone (CID 163345885) is (4,4-difluoropiperidin-1-yl)-[4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]morpholin-2-yl]methanone.
What is the SMILES notation for (4,4-difluoropiperidin-1-yl)-[4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]morpholin-2-yl]methanone?
The canonical SMILES for (4,4-difluoropiperidin-1-yl)-[4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]morpholin-2-yl]methanone is Cc1nc(C)c(CN2CCOC(C(=O)N3CCC(F)(F)CC3)C2)s1.
What is the InChIKey of (4,4-difluoropiperidin-1-yl)-[4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]morpholin-2-yl]methanone?
The InChIKey is SRJGFKOUOJOPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N3O2S/c1-11-14(24-12(2)19-11)10-20-7-8-23-13(9-20)15(22)21-5-3-16(17,18)4-6-21/h13H,3-10H2,1-2H3.
What are the key properties of (4,4-difluoropiperidin-1-yl)-[4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]morpholin-2-yl]methanone?
(4,4-difluoropiperidin-1-yl)-[4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]morpholin-2-yl]methanone has a molecular weight of 359.44 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoropiperidin-1-yl)-[4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]morpholin-2-yl]methanone is sourced from PubChem (CID 163345885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).