(3,3-difluoroazetidin-1-yl)-[1-[4-(2-methyl-1,3-thiazol-4-yl)-3-pyridinyl]piperidin-4-yl]methanone

C18H20F2N4OS — CID 118450652

IUPAC(3,3-difluoroazetidin-1-yl)-[1-[4-(2-methyl-1,3-thiazol-4-yl)-3-pyridinyl]piperidin-4-yl]methanone
SMILESCc1nc(-c2ccncc2N2CCC(C(=O)N3CC(F)(F)C3)CC2)cs1
InChIInChI=1S/C18H20F2N4OS/c1-12-22-15(9-26-12)14-2-5-21-8-16(14)23-6-3-13(4-7-23)17(25)24-10-18(19,20)11-24/h2,5,8-9,13H,3-4,6-7,10-11H2,1H3
InChIKeyAHHISCBJESSMIK-UHFFFAOYSA-N
MW378.45 g/mol
LogP3.21
Rot. Bonds3

About (3,3-difluoroazetidin-1-yl)-[1-[4-(2-methyl-1,3-thiazol-4-yl)-3-pyridinyl]piperidin-4-yl]methanone

(3,3-difluoroazetidin-1-yl)-[1-[4-(2-methyl-1,3-thiazol-4-yl)-3-pyridinyl]piperidin-4-yl]methanone (PubChem CID 118450652) has the molecular formula C18H20F2N4OS and a molecular weight of 378.45 g/mol. Its IUPAC name is (3,3-difluoroazetidin-1-yl)-[1-[4-(2-methyl-1,3-thiazol-4-yl)-3-pyridinyl]piperidin-4-yl]methanone.

Molecular Properties

Compound Name(3,3-difluoroazetidin-1-yl)-[1-[4-(2-methyl-1,3-thiazol-4-yl)-3-pyridinyl]piperidin-4-yl]methanone
PubChem CID118450652
Molecular FormulaC18H20F2N4OS
Molecular Weight378.45 g/mol
Exact Mass378.13
IUPAC Name(3,3-difluoroazetidin-1-yl)-[1-[4-(2-methyl-1,3-thiazol-4-yl)-3-pyridinyl]piperidin-4-yl]methanone
SMILESCc1nc(-c2ccncc2N2CCC(C(=O)N3CC(F)(F)C3)CC2)cs1
InChIInChI=1S/C18H20F2N4OS/c1-12-22-15(9-26-12)14-2-5-21-8-16(14)23-6-3-13(4-7-23)17(25)24-10-18(19,20)11-24/h2,5,8-9,13H,3-4,6-7,10-11H2,1H3
InChIKeyAHHISCBJESSMIK-UHFFFAOYSA-N
XLogP3.21
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3,3-difluoroazetidin-1-yl)-[1-[4-(2-methyl-1,3-thiazol-4-yl)-3-pyridinyl]piperidin-4-yl]methanone?
The IUPAC name of (3,3-difluoroazetidin-1-yl)-[1-[4-(2-methyl-1,3-thiazol-4-yl)-3-pyridinyl]piperidin-4-yl]methanone (CID 118450652) is (3,3-difluoroazetidin-1-yl)-[1-[4-(2-methyl-1,3-thiazol-4-yl)-3-pyridinyl]piperidin-4-yl]methanone.
What is the SMILES notation for (3,3-difluoroazetidin-1-yl)-[1-[4-(2-methyl-1,3-thiazol-4-yl)-3-pyridinyl]piperidin-4-yl]methanone?
The canonical SMILES for (3,3-difluoroazetidin-1-yl)-[1-[4-(2-methyl-1,3-thiazol-4-yl)-3-pyridinyl]piperidin-4-yl]methanone is Cc1nc(-c2ccncc2N2CCC(C(=O)N3CC(F)(F)C3)CC2)cs1.
What is the InChIKey of (3,3-difluoroazetidin-1-yl)-[1-[4-(2-methyl-1,3-thiazol-4-yl)-3-pyridinyl]piperidin-4-yl]methanone?
The InChIKey is AHHISCBJESSMIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N4OS/c1-12-22-15(9-26-12)14-2-5-21-8-16(14)23-6-3-13(4-7-23)17(25)24-10-18(19,20)11-24/h2,5,8-9,13H,3-4,6-7,10-11H2,1H3.
What are the key properties of (3,3-difluoroazetidin-1-yl)-[1-[4-(2-methyl-1,3-thiazol-4-yl)-3-pyridinyl]piperidin-4-yl]methanone?
(3,3-difluoroazetidin-1-yl)-[1-[4-(2-methyl-1,3-thiazol-4-yl)-3-pyridinyl]piperidin-4-yl]methanone has a molecular weight of 378.45 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluoroazetidin-1-yl)-[1-[4-(2-methyl-1,3-thiazol-4-yl)-3-pyridinyl]piperidin-4-yl]methanone is sourced from PubChem (CID 118450652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).