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

C14H12N6S — CID 58364873

IUPAC3-methyl-N-[3-(2H-pyrrol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
SMILESCc1cc(Nc2nccn3c(C4=CCN=C4)cnc23)sn1
InChIInChI=1S/C14H12N6S/c1-9-6-12(21-19-9)18-13-14-17-8-11(10-2-3-15-7-10)20(14)5-4-16-13/h2,4-8H,3H2,1H3,(H,16,18)
InChIKeyJBAJBNQTSRNFGQ-UHFFFAOYSA-N
MW296.36 g/mol
LogP2.71
Rot. Bonds3

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

3-methyl-N-[3-(2H-pyrrol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine (PubChem CID 58364873) has the molecular formula C14H12N6S and a molecular weight of 296.36 g/mol. Its IUPAC name is 3-methyl-N-[3-(2H-pyrrol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine.

Molecular Properties

Compound Name3-methyl-N-[3-(2H-pyrrol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
PubChem CID58364873
Molecular FormulaC14H12N6S
Molecular Weight296.36 g/mol
Exact Mass296.08
IUPAC Name3-methyl-N-[3-(2H-pyrrol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
SMILESCc1cc(Nc2nccn3c(C4=CCN=C4)cnc23)sn1
InChIInChI=1S/C14H12N6S/c1-9-6-12(21-19-9)18-13-14-17-8-11(10-2-3-15-7-10)20(14)5-4-16-13/h2,4-8H,3H2,1H3,(H,16,18)
InChIKeyJBAJBNQTSRNFGQ-UHFFFAOYSA-N
XLogP2.71
TPSA67.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-(2H-pyrrol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?
The IUPAC name of 3-methyl-N-[3-(2H-pyrrol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine (CID 58364873) is 3-methyl-N-[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-[3-(2H-pyrrol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?
The canonical SMILES for 3-methyl-N-[3-(2H-pyrrol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine is Cc1cc(Nc2nccn3c(C4=CCN=C4)cnc23)sn1.
What is the InChIKey of 3-methyl-N-[3-(2H-pyrrol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?
The InChIKey is JBAJBNQTSRNFGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N6S/c1-9-6-12(21-19-9)18-13-14-17-8-11(10-2-3-15-7-10)20(14)5-4-16-13/h2,4-8H,3H2,1H3,(H,16,18).
What are the key properties of 3-methyl-N-[3-(2H-pyrrol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?
3-methyl-N-[3-(2H-pyrrol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine has a molecular weight of 296.36 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-(2H-pyrrol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine is sourced from PubChem (CID 58364873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).