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

C18H14N8S2 — CID 25094324

IUPAC3-methyl-N-[3-(1H-pyrazol-4-yl)-6-pyridin-4-ylsulfanylimidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
SMILESCc1cc(Nc2nc(Sc3ccncc3)cn3c(-c4cn[nH]c4)cnc23)sn1
InChIInChI=1S/C18H14N8S2/c1-11-6-15(28-25-11)23-17-18-20-9-14(12-7-21-22-8-12)26(18)10-16(24-17)27-13-2-4-19-5-3-13/h2-10H,1H3,(H,21,22)(H,23,24)
InChIKeyCPRLNAIQLZEYQI-UHFFFAOYSA-N
MW406.50 g/mol
LogP4.17
Rot. Bonds5

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

3-methyl-N-[3-(1H-pyrazol-4-yl)-6-pyridin-4-ylsulfanylimidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine (PubChem CID 25094324) has the molecular formula C18H14N8S2 and a molecular weight of 406.50 g/mol. Its IUPAC name is 3-methyl-N-[3-(1H-pyrazol-4-yl)-6-pyridin-4-ylsulfanylimidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine.

Molecular Properties

Compound Name3-methyl-N-[3-(1H-pyrazol-4-yl)-6-pyridin-4-ylsulfanylimidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
PubChem CID25094324
Molecular FormulaC18H14N8S2
Molecular Weight406.50 g/mol
Exact Mass406.08
IUPAC Name3-methyl-N-[3-(1H-pyrazol-4-yl)-6-pyridin-4-ylsulfanylimidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
SMILESCc1cc(Nc2nc(Sc3ccncc3)cn3c(-c4cn[nH]c4)cnc23)sn1
InChIInChI=1S/C18H14N8S2/c1-11-6-15(28-25-11)23-17-18-20-9-14(12-7-21-22-8-12)26(18)10-16(24-17)27-13-2-4-19-5-3-13/h2-10H,1H3,(H,21,22)(H,23,24)
InChIKeyCPRLNAIQLZEYQI-UHFFFAOYSA-N
XLogP4.17
TPSA96.68 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.50
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-(1H-pyrazol-4-yl)-6-pyridin-4-ylsulfanylimidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?
The IUPAC name of 3-methyl-N-[3-(1H-pyrazol-4-yl)-6-pyridin-4-ylsulfanylimidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine (CID 25094324) is 3-methyl-N-[3-(1H-pyrazol-4-yl)-6-pyridin-4-ylsulfanylimidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine.
What is the SMILES notation for 3-methyl-N-[3-(1H-pyrazol-4-yl)-6-pyridin-4-ylsulfanylimidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?
The canonical SMILES for 3-methyl-N-[3-(1H-pyrazol-4-yl)-6-pyridin-4-ylsulfanylimidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine is Cc1cc(Nc2nc(Sc3ccncc3)cn3c(-c4cn[nH]c4)cnc23)sn1.
What is the InChIKey of 3-methyl-N-[3-(1H-pyrazol-4-yl)-6-pyridin-4-ylsulfanylimidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?
The InChIKey is CPRLNAIQLZEYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N8S2/c1-11-6-15(28-25-11)23-17-18-20-9-14(12-7-21-22-8-12)26(18)10-16(24-17)27-13-2-4-19-5-3-13/h2-10H,1H3,(H,21,22)(H,23,24).
What are the key properties of 3-methyl-N-[3-(1H-pyrazol-4-yl)-6-pyridin-4-ylsulfanylimidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?
3-methyl-N-[3-(1H-pyrazol-4-yl)-6-pyridin-4-ylsulfanylimidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine has a molecular weight of 406.50 g/mol, XLogP of 4.17, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-(1H-pyrazol-4-yl)-6-pyridin-4-ylsulfanylimidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine is sourced from PubChem (CID 25094324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).