5-chloro-2-(3-fluoropiperidin-1-yl)-1,3-thiazole

C8H10ClFN2S — CID 130626861

IUPAC5-chloro-2-(3-fluoropiperidin-1-yl)-1,3-thiazole
SMILESFC1CCCN(c2ncc(Cl)s2)C1
InChIInChI=1S/C8H10ClFN2S/c9-7-4-11-8(13-7)12-3-1-2-6(10)5-12/h4,6H,1-3,5H2
InChIKeyAQTIBMGRBLBPSE-UHFFFAOYSA-N
MW220.70 g/mol
LogP2.73
Rot. Bonds1

About 5-chloro-2-(3-fluoropiperidin-1-yl)-1,3-thiazole

5-chloro-2-(3-fluoropiperidin-1-yl)-1,3-thiazole (PubChem CID 130626861) has the molecular formula C8H10ClFN2S and a molecular weight of 220.70 g/mol. Its IUPAC name is 5-chloro-2-(3-fluoropiperidin-1-yl)-1,3-thiazole.

Molecular Properties

Compound Name5-chloro-2-(3-fluoropiperidin-1-yl)-1,3-thiazole
PubChem CID130626861
Molecular FormulaC8H10ClFN2S
Molecular Weight220.70 g/mol
Exact Mass220.02
IUPAC Name5-chloro-2-(3-fluoropiperidin-1-yl)-1,3-thiazole
SMILESFC1CCCN(c2ncc(Cl)s2)C1
InChIInChI=1S/C8H10ClFN2S/c9-7-4-11-8(13-7)12-3-1-2-6(10)5-12/h4,6H,1-3,5H2
InChIKeyAQTIBMGRBLBPSE-UHFFFAOYSA-N
XLogP2.73
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.70
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4R)-1-(5-chloro-1,3-thiazol-2-yl)pyrrolidine-3,4-diol
CID 130683240
5-chloro-2-[2-(fluoromethyl)pyrrolidin-1-yl]-1,3-thiazole
CID 130992385
5-bromo-2-(3-fluoroazetidin-1-yl)-1,3-thiazole
CID 154635774
5-(3-fluoropiperidin-1-yl)-2-methylpyridine
CID 156752811
3-cyclopropyl-5-[(3R)-3-fluoropiperidin-1-yl]-1,2,4-thiadiazole
CID 129349568
2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole-5-sulfonamide
CID 95288282
methyl 3-[2-[(3S)-3-fluoropyrrolidin-1-yl]-1,3-thiazol-5-yl]propanoate;hydrochloride
CID 69336183
2-(3-fluoroazepan-1-yl)pyrimidin-5-ol
CID 167553522
4-chloro-2-cyclopropyl-6-(3-fluoropiperidin-1-yl)pyrimidine
CID 121200880
[1-(5-methyl-1,3-thiazol-2-yl)piperidin-3-yl]methanol
CID 175647955
[1-(5-amino-1,3-thiazol-2-yl)piperidin-3-yl]methanol
CID 102767699
[4-(5-chloro-1,3-thiazol-2-yl)piperazin-1-yl]-(2,6-difluorophenyl)methanone
CID 136531644

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(3-fluoropiperidin-1-yl)-1,3-thiazole?
The IUPAC name of 5-chloro-2-(3-fluoropiperidin-1-yl)-1,3-thiazole (CID 130626861) is 5-chloro-2-(3-fluoropiperidin-1-yl)-1,3-thiazole.
What is the SMILES notation for 5-chloro-2-(3-fluoropiperidin-1-yl)-1,3-thiazole?
The canonical SMILES for 5-chloro-2-(3-fluoropiperidin-1-yl)-1,3-thiazole is FC1CCCN(c2ncc(Cl)s2)C1.
What is the InChIKey of 5-chloro-2-(3-fluoropiperidin-1-yl)-1,3-thiazole?
The InChIKey is AQTIBMGRBLBPSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClFN2S/c9-7-4-11-8(13-7)12-3-1-2-6(10)5-12/h4,6H,1-3,5H2.
What are the key properties of 5-chloro-2-(3-fluoropiperidin-1-yl)-1,3-thiazole?
5-chloro-2-(3-fluoropiperidin-1-yl)-1,3-thiazole has a molecular weight of 220.70 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(3-fluoropiperidin-1-yl)-1,3-thiazole is sourced from PubChem (CID 130626861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).