[4-(difluoromethyl)-4-hydroxypiperidin-1-yl]-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanone

C15H22F2N2O2S — CID 139010148

IUPAC[4-(difluoromethyl)-4-hydroxypiperidin-1-yl]-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanone
SMILESCc1nc(CC(C)C)c(C(=O)N2CCC(O)(C(F)F)CC2)s1
InChIInChI=1S/C15H22F2N2O2S/c1-9(2)8-11-12(22-10(3)18-11)13(20)19-6-4-15(21,5-7-19)14(16)17/h9,14,21H,4-8H2,1-3H3
InChIKeyAAWXBBHDIBCGSE-UHFFFAOYSA-N
MW332.42 g/mol
LogP2.88
Rot. Bonds4

About [4-(difluoromethyl)-4-hydroxypiperidin-1-yl]-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanone

[4-(difluoromethyl)-4-hydroxypiperidin-1-yl]-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanone (PubChem CID 139010148) has the molecular formula C15H22F2N2O2S and a molecular weight of 332.42 g/mol. Its IUPAC name is [4-(difluoromethyl)-4-hydroxypiperidin-1-yl]-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanone.

Molecular Properties

Compound Name[4-(difluoromethyl)-4-hydroxypiperidin-1-yl]-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanone
PubChem CID139010148
Molecular FormulaC15H22F2N2O2S
Molecular Weight332.42 g/mol
Exact Mass332.14
IUPAC Name[4-(difluoromethyl)-4-hydroxypiperidin-1-yl]-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanone
SMILESCc1nc(CC(C)C)c(C(=O)N2CCC(O)(C(F)F)CC2)s1
InChIInChI=1S/C15H22F2N2O2S/c1-9(2)8-11-12(22-10(3)18-11)13(20)19-6-4-15(21,5-7-19)14(16)17/h9,14,21H,4-8H2,1-3H3
InChIKeyAAWXBBHDIBCGSE-UHFFFAOYSA-N
XLogP2.88
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethyl)-4-hydroxypiperidin-1-yl]-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanone?
The IUPAC name of [4-(difluoromethyl)-4-hydroxypiperidin-1-yl]-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanone (CID 139010148) is [4-(difluoromethyl)-4-hydroxypiperidin-1-yl]-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanone.
What is the SMILES notation for [4-(difluoromethyl)-4-hydroxypiperidin-1-yl]-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanone?
The canonical SMILES for [4-(difluoromethyl)-4-hydroxypiperidin-1-yl]-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanone is Cc1nc(CC(C)C)c(C(=O)N2CCC(O)(C(F)F)CC2)s1.
What is the InChIKey of [4-(difluoromethyl)-4-hydroxypiperidin-1-yl]-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanone?
The InChIKey is AAWXBBHDIBCGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2O2S/c1-9(2)8-11-12(22-10(3)18-11)13(20)19-6-4-15(21,5-7-19)14(16)17/h9,14,21H,4-8H2,1-3H3.
What are the key properties of [4-(difluoromethyl)-4-hydroxypiperidin-1-yl]-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanone?
[4-(difluoromethyl)-4-hydroxypiperidin-1-yl]-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanone has a molecular weight of 332.42 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethyl)-4-hydroxypiperidin-1-yl]-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanone is sourced from PubChem (CID 139010148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).