N-[2-(azetidin-3-yl)ethyl]-5-(2,3-dichlorophenyl)sulfanyl-6-methylpyrazin-2-amine

C16H18Cl2N4S — CID 134182967

IUPACN-[2-(azetidin-3-yl)ethyl]-5-(2,3-dichlorophenyl)sulfanyl-6-methylpyrazin-2-amine
SMILESCc1nc(NCCC2CNC2)cnc1Sc1cccc(Cl)c1Cl
InChIInChI=1S/C16H18Cl2N4S/c1-10-16(23-13-4-2-3-12(17)15(13)18)21-9-14(22-10)20-6-5-11-7-19-8-11/h2-4,9,11,19H,5-8H2,1H3,(H,20,22)
InChIKeyIXACHSMYRSLOHT-UHFFFAOYSA-N
MW369.32 g/mol
LogP4.26
Rot. Bonds6

About N-[2-(azetidin-3-yl)ethyl]-5-(2,3-dichlorophenyl)sulfanyl-6-methylpyrazin-2-amine

N-[2-(azetidin-3-yl)ethyl]-5-(2,3-dichlorophenyl)sulfanyl-6-methylpyrazin-2-amine (PubChem CID 134182967) has the molecular formula C16H18Cl2N4S and a molecular weight of 369.32 g/mol. Its IUPAC name is N-[2-(azetidin-3-yl)ethyl]-5-(2,3-dichlorophenyl)sulfanyl-6-methylpyrazin-2-amine.

Molecular Properties

Compound NameN-[2-(azetidin-3-yl)ethyl]-5-(2,3-dichlorophenyl)sulfanyl-6-methylpyrazin-2-amine
PubChem CID134182967
Molecular FormulaC16H18Cl2N4S
Molecular Weight369.32 g/mol
Exact Mass368.06
IUPAC NameN-[2-(azetidin-3-yl)ethyl]-5-(2,3-dichlorophenyl)sulfanyl-6-methylpyrazin-2-amine
SMILESCc1nc(NCCC2CNC2)cnc1Sc1cccc(Cl)c1Cl
InChIInChI=1S/C16H18Cl2N4S/c1-10-16(23-13-4-2-3-12(17)15(13)18)21-9-14(22-10)20-6-5-11-7-19-8-11/h2-4,9,11,19H,5-8H2,1H3,(H,20,22)
InChIKeyIXACHSMYRSLOHT-UHFFFAOYSA-N
XLogP4.26
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.32
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(azetidin-3-yl)ethyl]-5-(2,3-dichlorophenyl)sulfanyl-6-methylpyrazin-2-amine?
The IUPAC name of N-[2-(azetidin-3-yl)ethyl]-5-(2,3-dichlorophenyl)sulfanyl-6-methylpyrazin-2-amine (CID 134182967) is N-[2-(azetidin-3-yl)ethyl]-5-(2,3-dichlorophenyl)sulfanyl-6-methylpyrazin-2-amine.
What is the SMILES notation for N-[2-(azetidin-3-yl)ethyl]-5-(2,3-dichlorophenyl)sulfanyl-6-methylpyrazin-2-amine?
The canonical SMILES for N-[2-(azetidin-3-yl)ethyl]-5-(2,3-dichlorophenyl)sulfanyl-6-methylpyrazin-2-amine is Cc1nc(NCCC2CNC2)cnc1Sc1cccc(Cl)c1Cl.
What is the InChIKey of N-[2-(azetidin-3-yl)ethyl]-5-(2,3-dichlorophenyl)sulfanyl-6-methylpyrazin-2-amine?
The InChIKey is IXACHSMYRSLOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N4S/c1-10-16(23-13-4-2-3-12(17)15(13)18)21-9-14(22-10)20-6-5-11-7-19-8-11/h2-4,9,11,19H,5-8H2,1H3,(H,20,22).
What are the key properties of N-[2-(azetidin-3-yl)ethyl]-5-(2,3-dichlorophenyl)sulfanyl-6-methylpyrazin-2-amine?
N-[2-(azetidin-3-yl)ethyl]-5-(2,3-dichlorophenyl)sulfanyl-6-methylpyrazin-2-amine has a molecular weight of 369.32 g/mol, XLogP of 4.26, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azetidin-3-yl)ethyl]-5-(2,3-dichlorophenyl)sulfanyl-6-methylpyrazin-2-amine is sourced from PubChem (CID 134182967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).