4-[(3-fluoropiperidin-3-yl)methyl]-2-methyl-1,3-thiazole

C10H15FN2S — CID 112562936

IUPAC4-[(3-fluoropiperidin-3-yl)methyl]-2-methyl-1,3-thiazole
SMILESCc1nc(CC2(F)CCCNC2)cs1
InChIInChI=1S/C10H15FN2S/c1-8-13-9(6-14-8)5-10(11)3-2-4-12-7-10/h6,12H,2-5,7H2,1H3
InChIKeyUGOCPQYMXIRDQP-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.09
Rot. Bonds2

About 4-[(3-fluoropiperidin-3-yl)methyl]-2-methyl-1,3-thiazole

4-[(3-fluoropiperidin-3-yl)methyl]-2-methyl-1,3-thiazole (PubChem CID 112562936) has the molecular formula C10H15FN2S and a molecular weight of 214.31 g/mol. Its IUPAC name is 4-[(3-fluoropiperidin-3-yl)methyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[(3-fluoropiperidin-3-yl)methyl]-2-methyl-1,3-thiazole
PubChem CID112562936
Molecular FormulaC10H15FN2S
Molecular Weight214.31 g/mol
Exact Mass214.09
IUPAC Name4-[(3-fluoropiperidin-3-yl)methyl]-2-methyl-1,3-thiazole
SMILESCc1nc(CC2(F)CCCNC2)cs1
InChIInChI=1S/C10H15FN2S/c1-8-13-9(6-14-8)5-10(11)3-2-4-12-7-10/h6,12H,2-5,7H2,1H3
InChIKeyUGOCPQYMXIRDQP-UHFFFAOYSA-N
XLogP2.09
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluoropiperidin-3-yl)methyl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-[(3-fluoropiperidin-3-yl)methyl]-2-methyl-1,3-thiazole (CID 112562936) is 4-[(3-fluoropiperidin-3-yl)methyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[(3-fluoropiperidin-3-yl)methyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[(3-fluoropiperidin-3-yl)methyl]-2-methyl-1,3-thiazole is Cc1nc(CC2(F)CCCNC2)cs1.
What is the InChIKey of 4-[(3-fluoropiperidin-3-yl)methyl]-2-methyl-1,3-thiazole?
The InChIKey is UGOCPQYMXIRDQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2S/c1-8-13-9(6-14-8)5-10(11)3-2-4-12-7-10/h6,12H,2-5,7H2,1H3.
What are the key properties of 4-[(3-fluoropiperidin-3-yl)methyl]-2-methyl-1,3-thiazole?
4-[(3-fluoropiperidin-3-yl)methyl]-2-methyl-1,3-thiazole has a molecular weight of 214.31 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluoropiperidin-3-yl)methyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 112562936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).