3-methyl-N-[6-methyl-3-(2H-pyrrol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine

C15H14N6S — CID 58364746

IUPAC3-methyl-N-[6-methyl-3-(2H-pyrrol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
SMILESCc1cc(Nc2nc(C)cn3c(C4=CCN=C4)cnc23)sn1
InChIInChI=1S/C15H14N6S/c1-9-5-13(22-20-9)19-14-15-17-7-12(11-3-4-16-6-11)21(15)8-10(2)18-14/h3,5-8H,4H2,1-2H3,(H,18,19)
InChIKeyMHYUMHHFEUXGTA-UHFFFAOYSA-N
MW310.39 g/mol
LogP3.01
Rot. Bonds3

About 3-methyl-N-[6-methyl-3-(2H-pyrrol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine

3-methyl-N-[6-methyl-3-(2H-pyrrol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine (PubChem CID 58364746) has the molecular formula C15H14N6S and a molecular weight of 310.39 g/mol. Its IUPAC name is 3-methyl-N-[6-methyl-3-(2H-pyrrol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine.

Molecular Properties

Compound Name3-methyl-N-[6-methyl-3-(2H-pyrrol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
PubChem CID58364746
Molecular FormulaC15H14N6S
Molecular Weight310.39 g/mol
Exact Mass310.10
IUPAC Name3-methyl-N-[6-methyl-3-(2H-pyrrol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
SMILESCc1cc(Nc2nc(C)cn3c(C4=CCN=C4)cnc23)sn1
InChIInChI=1S/C15H14N6S/c1-9-5-13(22-20-9)19-14-15-17-7-12(11-3-4-16-6-11)21(15)8-10(2)18-14/h3,5-8H,4H2,1-2H3,(H,18,19)
InChIKeyMHYUMHHFEUXGTA-UHFFFAOYSA-N
XLogP3.01
TPSA67.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[6-methyl-3-(2H-pyrrol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?
The IUPAC name of 3-methyl-N-[6-methyl-3-(2H-pyrrol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine (CID 58364746) is 3-methyl-N-[6-methyl-3-(2H-pyrrol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine.
What is the SMILES notation for 3-methyl-N-[6-methyl-3-(2H-pyrrol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?
The canonical SMILES for 3-methyl-N-[6-methyl-3-(2H-pyrrol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine is Cc1cc(Nc2nc(C)cn3c(C4=CCN=C4)cnc23)sn1.
What is the InChIKey of 3-methyl-N-[6-methyl-3-(2H-pyrrol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?
The InChIKey is MHYUMHHFEUXGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6S/c1-9-5-13(22-20-9)19-14-15-17-7-12(11-3-4-16-6-11)21(15)8-10(2)18-14/h3,5-8H,4H2,1-2H3,(H,18,19).
What are the key properties of 3-methyl-N-[6-methyl-3-(2H-pyrrol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?
3-methyl-N-[6-methyl-3-(2H-pyrrol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine has a molecular weight of 310.39 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[6-methyl-3-(2H-pyrrol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine is sourced from PubChem (CID 58364746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).