5-[(2,5-difluorophenyl)sulfanylmethyl]-N-methylpyrazin-2-amine

C12H11F2N3S — CID 103059921

IUPAC5-[(2,5-difluorophenyl)sulfanylmethyl]-N-methylpyrazin-2-amine
SMILESCNc1cnc(CSc2cc(F)ccc2F)cn1
InChIInChI=1S/C12H11F2N3S/c1-15-12-6-16-9(5-17-12)7-18-11-4-8(13)2-3-10(11)14/h2-6H,7H2,1H3,(H,15,17)
InChIKeyLZIYOIDYJSHPSP-UHFFFAOYSA-N
MW267.30 g/mol
LogP3.09
Rot. Bonds4

About 5-[(2,5-difluorophenyl)sulfanylmethyl]-N-methylpyrazin-2-amine

5-[(2,5-difluorophenyl)sulfanylmethyl]-N-methylpyrazin-2-amine (PubChem CID 103059921) has the molecular formula C12H11F2N3S and a molecular weight of 267.30 g/mol. Its IUPAC name is 5-[(2,5-difluorophenyl)sulfanylmethyl]-N-methylpyrazin-2-amine.

Molecular Properties

Compound Name5-[(2,5-difluorophenyl)sulfanylmethyl]-N-methylpyrazin-2-amine
PubChem CID103059921
Molecular FormulaC12H11F2N3S
Molecular Weight267.30 g/mol
Exact Mass267.06
IUPAC Name5-[(2,5-difluorophenyl)sulfanylmethyl]-N-methylpyrazin-2-amine
SMILESCNc1cnc(CSc2cc(F)ccc2F)cn1
InChIInChI=1S/C12H11F2N3S/c1-15-12-6-16-9(5-17-12)7-18-11-4-8(13)2-3-10(11)14/h2-6H,7H2,1H3,(H,15,17)
InChIKeyLZIYOIDYJSHPSP-UHFFFAOYSA-N
XLogP3.09
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2,5-difluorophenyl)sulfanylmethyl]-N-ethylpyrazin-2-amine
CID 103059924
2-[(2,5-difluorophenyl)sulfanylmethyl]-N-methylpyridin-4-amine
CID 79260165
2-[[5-(methylamino)pyrazin-2-yl]methylsulfanyl]phenol
CID 103060050
5-[(2-amino-4-fluorophenyl)sulfanylmethyl]-N-methylpyridin-2-amine
CID 143516885
[4-[(2,5-difluorophenyl)sulfanylmethyl]-2-pyridinyl]hydrazine
CID 62464533
5-(butan-2-ylsulfanylmethyl)-N-methylpyrazin-2-amine
CID 103059831
5-[[(3-fluorophenyl)methyl-methylamino]methyl]-N-methylpyrazin-2-amine
CID 103055545
5-[(4-fluoro-N-methylanilino)methyl]-N-methylpyrazin-2-amine
CID 103055908
2-chloro-4-[(2,5-difluorophenyl)sulfanylmethyl]pyridine
CID 62045800
3-(2,5-difluorophenyl)sulfanyl-2-methylpropan-1-ol
CID 115870910
2-[(2,5-difluorophenyl)sulfanylmethyl]-N-methyl-4-nitroaniline
CID 62189840
[4-[(2,5-difluorophenyl)sulfanylmethyl]-3-fluorophenyl]methanamine
CID 43530758

Frequently Asked Questions

What is the IUPAC name of 5-[(2,5-difluorophenyl)sulfanylmethyl]-N-methylpyrazin-2-amine?
The IUPAC name of 5-[(2,5-difluorophenyl)sulfanylmethyl]-N-methylpyrazin-2-amine (CID 103059921) is 5-[(2,5-difluorophenyl)sulfanylmethyl]-N-methylpyrazin-2-amine.
What is the SMILES notation for 5-[(2,5-difluorophenyl)sulfanylmethyl]-N-methylpyrazin-2-amine?
The canonical SMILES for 5-[(2,5-difluorophenyl)sulfanylmethyl]-N-methylpyrazin-2-amine is CNc1cnc(CSc2cc(F)ccc2F)cn1.
What is the InChIKey of 5-[(2,5-difluorophenyl)sulfanylmethyl]-N-methylpyrazin-2-amine?
The InChIKey is LZIYOIDYJSHPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N3S/c1-15-12-6-16-9(5-17-12)7-18-11-4-8(13)2-3-10(11)14/h2-6H,7H2,1H3,(H,15,17).
What are the key properties of 5-[(2,5-difluorophenyl)sulfanylmethyl]-N-methylpyrazin-2-amine?
5-[(2,5-difluorophenyl)sulfanylmethyl]-N-methylpyrazin-2-amine has a molecular weight of 267.30 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,5-difluorophenyl)sulfanylmethyl]-N-methylpyrazin-2-amine is sourced from PubChem (CID 103059921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).