2-(4,4-difluoropiperidin-1-yl)-2-(4-methyl-1,3-thiazol-5-yl)ethanamine

C11H17F2N3S — CID 118297296

IUPAC2-(4,4-difluoropiperidin-1-yl)-2-(4-methyl-1,3-thiazol-5-yl)ethanamine
SMILESCc1ncsc1C(CN)N1CCC(F)(F)CC1
InChIInChI=1S/C11H17F2N3S/c1-8-10(17-7-15-8)9(6-14)16-4-2-11(12,13)3-5-16/h7,9H,2-6,14H2,1H3
InChIKeyPJOWVKNZUJZXRR-UHFFFAOYSA-N
MW261.34 g/mol
LogP2.18
Rot. Bonds3

About 2-(4,4-difluoropiperidin-1-yl)-2-(4-methyl-1,3-thiazol-5-yl)ethanamine

2-(4,4-difluoropiperidin-1-yl)-2-(4-methyl-1,3-thiazol-5-yl)ethanamine (PubChem CID 118297296) has the molecular formula C11H17F2N3S and a molecular weight of 261.34 g/mol. Its IUPAC name is 2-(4,4-difluoropiperidin-1-yl)-2-(4-methyl-1,3-thiazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(4,4-difluoropiperidin-1-yl)-2-(4-methyl-1,3-thiazol-5-yl)ethanamine
PubChem CID118297296
Molecular FormulaC11H17F2N3S
Molecular Weight261.34 g/mol
Exact Mass261.11
IUPAC Name2-(4,4-difluoropiperidin-1-yl)-2-(4-methyl-1,3-thiazol-5-yl)ethanamine
SMILESCc1ncsc1C(CN)N1CCC(F)(F)CC1
InChIInChI=1S/C11H17F2N3S/c1-8-10(17-7-15-8)9(6-14)16-4-2-11(12,13)3-5-16/h7,9H,2-6,14H2,1H3
InChIKeyPJOWVKNZUJZXRR-UHFFFAOYSA-N
XLogP2.18
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-2-(4-methyl-1,3-thiazol-5-yl)ethanamine?
The IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-2-(4-methyl-1,3-thiazol-5-yl)ethanamine (CID 118297296) is 2-(4,4-difluoropiperidin-1-yl)-2-(4-methyl-1,3-thiazol-5-yl)ethanamine.
What is the SMILES notation for 2-(4,4-difluoropiperidin-1-yl)-2-(4-methyl-1,3-thiazol-5-yl)ethanamine?
The canonical SMILES for 2-(4,4-difluoropiperidin-1-yl)-2-(4-methyl-1,3-thiazol-5-yl)ethanamine is Cc1ncsc1C(CN)N1CCC(F)(F)CC1.
What is the InChIKey of 2-(4,4-difluoropiperidin-1-yl)-2-(4-methyl-1,3-thiazol-5-yl)ethanamine?
The InChIKey is PJOWVKNZUJZXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2N3S/c1-8-10(17-7-15-8)9(6-14)16-4-2-11(12,13)3-5-16/h7,9H,2-6,14H2,1H3.
What are the key properties of 2-(4,4-difluoropiperidin-1-yl)-2-(4-methyl-1,3-thiazol-5-yl)ethanamine?
2-(4,4-difluoropiperidin-1-yl)-2-(4-methyl-1,3-thiazol-5-yl)ethanamine has a molecular weight of 261.34 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluoropiperidin-1-yl)-2-(4-methyl-1,3-thiazol-5-yl)ethanamine is sourced from PubChem (CID 118297296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).