3,5-difluoro-N-methyl-6-(1,4-thiazepan-4-yl)pyridin-2-amine

C11H15F2N3S — CID 114074216

IUPAC3,5-difluoro-N-methyl-6-(1,4-thiazepan-4-yl)pyridin-2-amine
SMILESCNc1nc(N2CCCSCC2)c(F)cc1F
InChIInChI=1S/C11H15F2N3S/c1-14-10-8(12)7-9(13)11(15-10)16-3-2-5-17-6-4-16/h7H,2-6H2,1H3,(H,14,15)
InChIKeyZFEXNJYPJHSCMG-UHFFFAOYSA-N
MW259.32 g/mol
LogP2.34
Rot. Bonds2

About 3,5-difluoro-N-methyl-6-(1,4-thiazepan-4-yl)pyridin-2-amine

3,5-difluoro-N-methyl-6-(1,4-thiazepan-4-yl)pyridin-2-amine (PubChem CID 114074216) has the molecular formula C11H15F2N3S and a molecular weight of 259.32 g/mol. Its IUPAC name is 3,5-difluoro-N-methyl-6-(1,4-thiazepan-4-yl)pyridin-2-amine.

Molecular Properties

Compound Name3,5-difluoro-N-methyl-6-(1,4-thiazepan-4-yl)pyridin-2-amine
PubChem CID114074216
Molecular FormulaC11H15F2N3S
Molecular Weight259.32 g/mol
Exact Mass259.10
IUPAC Name3,5-difluoro-N-methyl-6-(1,4-thiazepan-4-yl)pyridin-2-amine
SMILESCNc1nc(N2CCCSCC2)c(F)cc1F
InChIInChI=1S/C11H15F2N3S/c1-14-10-8(12)7-9(13)11(15-10)16-3-2-5-17-6-4-16/h7H,2-6H2,1H3,(H,14,15)
InChIKeyZFEXNJYPJHSCMG-UHFFFAOYSA-N
XLogP2.34
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-methyl-6-(1,4-thiazepan-4-yl)pyridin-2-amine?
The IUPAC name of 3,5-difluoro-N-methyl-6-(1,4-thiazepan-4-yl)pyridin-2-amine (CID 114074216) is 3,5-difluoro-N-methyl-6-(1,4-thiazepan-4-yl)pyridin-2-amine.
What is the SMILES notation for 3,5-difluoro-N-methyl-6-(1,4-thiazepan-4-yl)pyridin-2-amine?
The canonical SMILES for 3,5-difluoro-N-methyl-6-(1,4-thiazepan-4-yl)pyridin-2-amine is CNc1nc(N2CCCSCC2)c(F)cc1F.
What is the InChIKey of 3,5-difluoro-N-methyl-6-(1,4-thiazepan-4-yl)pyridin-2-amine?
The InChIKey is ZFEXNJYPJHSCMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N3S/c1-14-10-8(12)7-9(13)11(15-10)16-3-2-5-17-6-4-16/h7H,2-6H2,1H3,(H,14,15).
What are the key properties of 3,5-difluoro-N-methyl-6-(1,4-thiazepan-4-yl)pyridin-2-amine?
3,5-difluoro-N-methyl-6-(1,4-thiazepan-4-yl)pyridin-2-amine has a molecular weight of 259.32 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-methyl-6-(1,4-thiazepan-4-yl)pyridin-2-amine is sourced from PubChem (CID 114074216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).