5-(4-fluoropiperidin-1-yl)-4-methyl-1,2-thiazol-3-amine

C9H14FN3S — CID 164659414

IUPAC5-(4-fluoropiperidin-1-yl)-4-methyl-1,2-thiazol-3-amine
SMILESCc1c(N)nsc1N1CCC(F)CC1
InChIInChI=1S/C9H14FN3S/c1-6-8(11)12-14-9(6)13-4-2-7(10)3-5-13/h7H,2-5H2,1H3,(H2,11,12)
InChIKeyATPYWPGEFWXZHH-UHFFFAOYSA-N
MW215.30 g/mol
LogP1.97
Rot. Bonds1

About 5-(4-fluoropiperidin-1-yl)-4-methyl-1,2-thiazol-3-amine

5-(4-fluoropiperidin-1-yl)-4-methyl-1,2-thiazol-3-amine (PubChem CID 164659414) has the molecular formula C9H14FN3S and a molecular weight of 215.30 g/mol. Its IUPAC name is 5-(4-fluoropiperidin-1-yl)-4-methyl-1,2-thiazol-3-amine.

Molecular Properties

Compound Name5-(4-fluoropiperidin-1-yl)-4-methyl-1,2-thiazol-3-amine
PubChem CID164659414
Molecular FormulaC9H14FN3S
Molecular Weight215.30 g/mol
Exact Mass215.09
IUPAC Name5-(4-fluoropiperidin-1-yl)-4-methyl-1,2-thiazol-3-amine
SMILESCc1c(N)nsc1N1CCC(F)CC1
InChIInChI=1S/C9H14FN3S/c1-6-8(11)12-14-9(6)13-4-2-7(10)3-5-13/h7H,2-5H2,1H3,(H2,11,12)
InChIKeyATPYWPGEFWXZHH-UHFFFAOYSA-N
XLogP1.97
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoropiperidin-1-yl)-4-methyl-1,2-thiazol-3-amine?
The IUPAC name of 5-(4-fluoropiperidin-1-yl)-4-methyl-1,2-thiazol-3-amine (CID 164659414) is 5-(4-fluoropiperidin-1-yl)-4-methyl-1,2-thiazol-3-amine.
What is the SMILES notation for 5-(4-fluoropiperidin-1-yl)-4-methyl-1,2-thiazol-3-amine?
The canonical SMILES for 5-(4-fluoropiperidin-1-yl)-4-methyl-1,2-thiazol-3-amine is Cc1c(N)nsc1N1CCC(F)CC1.
What is the InChIKey of 5-(4-fluoropiperidin-1-yl)-4-methyl-1,2-thiazol-3-amine?
The InChIKey is ATPYWPGEFWXZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN3S/c1-6-8(11)12-14-9(6)13-4-2-7(10)3-5-13/h7H,2-5H2,1H3,(H2,11,12).
What are the key properties of 5-(4-fluoropiperidin-1-yl)-4-methyl-1,2-thiazol-3-amine?
5-(4-fluoropiperidin-1-yl)-4-methyl-1,2-thiazol-3-amine has a molecular weight of 215.30 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoropiperidin-1-yl)-4-methyl-1,2-thiazol-3-amine is sourced from PubChem (CID 164659414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).