6-N-methyl-8-N-[1-(1,3-thiazol-2-yl)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine

C12H14N6S — CID 80844042

IUPAC6-N-methyl-8-N-[1-(1,3-thiazol-2-yl)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine
SMILESCNc1cn2ccnc2c(NC(C)c2nccs2)n1
InChIInChI=1S/C12H14N6S/c1-8(12-15-4-6-19-12)16-10-11-14-3-5-18(11)7-9(13-2)17-10/h3-8,13H,1-2H3,(H,16,17)
InChIKeyAYOSPAGYLYICFY-UHFFFAOYSA-N
MW274.35 g/mol
LogP2.40
Rot. Bonds4

About 6-N-methyl-8-N-[1-(1,3-thiazol-2-yl)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine

6-N-methyl-8-N-[1-(1,3-thiazol-2-yl)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine (PubChem CID 80844042) has the molecular formula C12H14N6S and a molecular weight of 274.35 g/mol. Its IUPAC name is 6-N-methyl-8-N-[1-(1,3-thiazol-2-yl)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine.

Molecular Properties

Compound Name6-N-methyl-8-N-[1-(1,3-thiazol-2-yl)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine
PubChem CID80844042
Molecular FormulaC12H14N6S
Molecular Weight274.35 g/mol
Exact Mass274.10
IUPAC Name6-N-methyl-8-N-[1-(1,3-thiazol-2-yl)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine
SMILESCNc1cn2ccnc2c(NC(C)c2nccs2)n1
InChIInChI=1S/C12H14N6S/c1-8(12-15-4-6-19-12)16-10-11-14-3-5-18(11)7-9(13-2)17-10/h3-8,13H,1-2H3,(H,16,17)
InChIKeyAYOSPAGYLYICFY-UHFFFAOYSA-N
XLogP2.40
TPSA67.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-8-N-[1-(1,3-thiazol-2-yl)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine?
The IUPAC name of 6-N-methyl-8-N-[1-(1,3-thiazol-2-yl)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine (CID 80844042) is 6-N-methyl-8-N-[1-(1,3-thiazol-2-yl)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine.
What is the SMILES notation for 6-N-methyl-8-N-[1-(1,3-thiazol-2-yl)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine?
The canonical SMILES for 6-N-methyl-8-N-[1-(1,3-thiazol-2-yl)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine is CNc1cn2ccnc2c(NC(C)c2nccs2)n1.
What is the InChIKey of 6-N-methyl-8-N-[1-(1,3-thiazol-2-yl)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine?
The InChIKey is AYOSPAGYLYICFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6S/c1-8(12-15-4-6-19-12)16-10-11-14-3-5-18(11)7-9(13-2)17-10/h3-8,13H,1-2H3,(H,16,17).
What are the key properties of 6-N-methyl-8-N-[1-(1,3-thiazol-2-yl)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine?
6-N-methyl-8-N-[1-(1,3-thiazol-2-yl)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine has a molecular weight of 274.35 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-8-N-[1-(1,3-thiazol-2-yl)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine is sourced from PubChem (CID 80844042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).