5-[2-(4,4-difluoropiperidin-1-yl)ethylsulfanyl]-2-methyl-1,3-thiazole

C11H16F2N2S2 — CID 58328458

IUPAC5-[2-(4,4-difluoropiperidin-1-yl)ethylsulfanyl]-2-methyl-1,3-thiazole
SMILESCc1ncc(SCCN2CCC(F)(F)CC2)s1
InChIInChI=1S/C11H16F2N2S2/c1-9-14-8-10(17-9)16-7-6-15-4-2-11(12,13)3-5-15/h8H,2-7H2,1H3
InChIKeyKKHUPLORMQJQEI-UHFFFAOYSA-N
MW278.39 g/mol
LogP3.27
Rot. Bonds4

About 5-[2-(4,4-difluoropiperidin-1-yl)ethylsulfanyl]-2-methyl-1,3-thiazole

5-[2-(4,4-difluoropiperidin-1-yl)ethylsulfanyl]-2-methyl-1,3-thiazole (PubChem CID 58328458) has the molecular formula C11H16F2N2S2 and a molecular weight of 278.39 g/mol. Its IUPAC name is 5-[2-(4,4-difluoropiperidin-1-yl)ethylsulfanyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-[2-(4,4-difluoropiperidin-1-yl)ethylsulfanyl]-2-methyl-1,3-thiazole
PubChem CID58328458
Molecular FormulaC11H16F2N2S2
Molecular Weight278.39 g/mol
Exact Mass278.07
IUPAC Name5-[2-(4,4-difluoropiperidin-1-yl)ethylsulfanyl]-2-methyl-1,3-thiazole
SMILESCc1ncc(SCCN2CCC(F)(F)CC2)s1
InChIInChI=1S/C11H16F2N2S2/c1-9-14-8-10(17-9)16-7-6-15-4-2-11(12,13)3-5-15/h8H,2-7H2,1H3
InChIKeyKKHUPLORMQJQEI-UHFFFAOYSA-N
XLogP3.27
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.39
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-Piperidin-1-ylprop-1-ynyl)-1,3-thiazole
CID 20071653
5-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethylsulfanyl]-2-methyl-1,3-thiazole
CID 58328457
5-[2-[(3R,4S)-3,4-difluoropyrrolidin-1-yl]ethylsulfanyl]-2-methyl-1,3-thiazole
CID 58328478
5-[2-(4,4-Difluoropiperidin-1-yl)ethylsulfanyl]-1,3-thiazol-2-amine
CID 58328482
5-[2-[(3S)-3-fluoropyrrolidin-1-yl]ethylsulfanyl]-2-methyl-1,3-thiazole
CID 58328527
5-(4,4-Difluoropiperidin-1-yl)-2-methyl-1,3-thiazole;ethane
CID 142825973
5-(4,4-Difluoropiperidin-1-yl)-2-methyl-1,3-thiazole
CID 142825974
2-(4,4-Difluoropiperidin-1-yl)-2-(1,3-thiazol-2-yl)acetonitrile;ethane
CID 144898608
2-[[4-(Trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 174498442
2-[4-Fluoro-1-(2-methylpropyl)piperidin-4-yl]-1,3-thiazole
CID 174585514
2-[(3-Fluoro-3-methylpiperidin-1-yl)methyl]-1,3-thiazole
CID 126790277
2-[[(3S)-3-fluoro-3-methylpiperidin-1-yl]methyl]-1,3-thiazole
CID 129488110

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4,4-difluoropiperidin-1-yl)ethylsulfanyl]-2-methyl-1,3-thiazole?
The IUPAC name of 5-[2-(4,4-difluoropiperidin-1-yl)ethylsulfanyl]-2-methyl-1,3-thiazole (CID 58328458) is 5-[2-(4,4-difluoropiperidin-1-yl)ethylsulfanyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 5-[2-(4,4-difluoropiperidin-1-yl)ethylsulfanyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 5-[2-(4,4-difluoropiperidin-1-yl)ethylsulfanyl]-2-methyl-1,3-thiazole is Cc1ncc(SCCN2CCC(F)(F)CC2)s1.
What is the InChIKey of 5-[2-(4,4-difluoropiperidin-1-yl)ethylsulfanyl]-2-methyl-1,3-thiazole?
The InChIKey is KKHUPLORMQJQEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2S2/c1-9-14-8-10(17-9)16-7-6-15-4-2-11(12,13)3-5-15/h8H,2-7H2,1H3.
What are the key properties of 5-[2-(4,4-difluoropiperidin-1-yl)ethylsulfanyl]-2-methyl-1,3-thiazole?
5-[2-(4,4-difluoropiperidin-1-yl)ethylsulfanyl]-2-methyl-1,3-thiazole has a molecular weight of 278.39 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4,4-difluoropiperidin-1-yl)ethylsulfanyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 58328458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).