N-methyl-N-(2-phenylsulfanylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide

C16H20N4OS — CID 56905053

IUPACN-methyl-N-(2-phenylsulfanylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide
SMILESCN(CCSc1ccccc1)C(=O)c1cn2c(n1)CNCC2
InChIInChI=1S/C16H20N4OS/c1-19(9-10-22-13-5-3-2-4-6-13)16(21)14-12-20-8-7-17-11-15(20)18-14/h2-6,12,17H,7-11H2,1H3
InChIKeyJJQADNQHGYGDAD-UHFFFAOYSA-N
MW316.43 g/mol
LogP1.85
Rot. Bonds5

About N-methyl-N-(2-phenylsulfanylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide

N-methyl-N-(2-phenylsulfanylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide (PubChem CID 56905053) has the molecular formula C16H20N4OS and a molecular weight of 316.43 g/mol. Its IUPAC name is N-methyl-N-(2-phenylsulfanylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(2-phenylsulfanylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide
PubChem CID56905053
Molecular FormulaC16H20N4OS
Molecular Weight316.43 g/mol
Exact Mass316.14
IUPAC NameN-methyl-N-(2-phenylsulfanylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide
SMILESCN(CCSc1ccccc1)C(=O)c1cn2c(n1)CNCC2
InChIInChI=1S/C16H20N4OS/c1-19(9-10-22-13-5-3-2-4-6-13)16(21)14-12-20-8-7-17-11-15(20)18-14/h2-6,12,17H,7-11H2,1H3
InChIKeyJJQADNQHGYGDAD-UHFFFAOYSA-N
XLogP1.85
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-phenylsulfanylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of N-methyl-N-(2-phenylsulfanylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide (CID 56905053) is N-methyl-N-(2-phenylsulfanylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for N-methyl-N-(2-phenylsulfanylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for N-methyl-N-(2-phenylsulfanylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide is CN(CCSc1ccccc1)C(=O)c1cn2c(n1)CNCC2.
What is the InChIKey of N-methyl-N-(2-phenylsulfanylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide?
The InChIKey is JJQADNQHGYGDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4OS/c1-19(9-10-22-13-5-3-2-4-6-13)16(21)14-12-20-8-7-17-11-15(20)18-14/h2-6,12,17H,7-11H2,1H3.
What are the key properties of N-methyl-N-(2-phenylsulfanylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide?
N-methyl-N-(2-phenylsulfanylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 316.43 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-phenylsulfanylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 56905053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).