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

C19H16N8S2 — CID 71196634

IUPACN-[3-(1-aminopyrazol-4-yl)-6-phenylsulfanylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine
SMILESCc1cc(Nc2nc(Sc3ccccc3)cn3c(-c4cnn(N)c4)cnc23)sn1
InChIInChI=1S/C19H16N8S2/c1-12-7-16(29-25-12)23-18-19-21-9-15(13-8-22-27(20)10-13)26(19)11-17(24-18)28-14-5-3-2-4-6-14/h2-11H,20H2,1H3,(H,23,24)
InChIKeyJRONJZPSFRDDKM-UHFFFAOYSA-N
MW420.53 g/mol
LogP3.97
Rot. Bonds5

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

N-[3-(1-aminopyrazol-4-yl)-6-phenylsulfanylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine (PubChem CID 71196634) has the molecular formula C19H16N8S2 and a molecular weight of 420.53 g/mol. Its IUPAC name is N-[3-(1-aminopyrazol-4-yl)-6-phenylsulfanylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine.

Molecular Properties

Compound NameN-[3-(1-aminopyrazol-4-yl)-6-phenylsulfanylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine
PubChem CID71196634
Molecular FormulaC19H16N8S2
Molecular Weight420.53 g/mol
Exact Mass420.09
IUPAC NameN-[3-(1-aminopyrazol-4-yl)-6-phenylsulfanylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine
SMILESCc1cc(Nc2nc(Sc3ccccc3)cn3c(-c4cnn(N)c4)cnc23)sn1
InChIInChI=1S/C19H16N8S2/c1-12-7-16(29-25-12)23-18-19-21-9-15(13-8-22-27(20)10-13)26(19)11-17(24-18)28-14-5-3-2-4-6-14/h2-11H,20H2,1H3,(H,23,24)
InChIKeyJRONJZPSFRDDKM-UHFFFAOYSA-N
XLogP3.97
TPSA98.95 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.53
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1-aminopyrazol-4-yl)-6-phenylsulfanylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine?
The IUPAC name of N-[3-(1-aminopyrazol-4-yl)-6-phenylsulfanylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine (CID 71196634) is N-[3-(1-aminopyrazol-4-yl)-6-phenylsulfanylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine.
What is the SMILES notation for N-[3-(1-aminopyrazol-4-yl)-6-phenylsulfanylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine?
The canonical SMILES for N-[3-(1-aminopyrazol-4-yl)-6-phenylsulfanylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine is Cc1cc(Nc2nc(Sc3ccccc3)cn3c(-c4cnn(N)c4)cnc23)sn1.
What is the InChIKey of N-[3-(1-aminopyrazol-4-yl)-6-phenylsulfanylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine?
The InChIKey is JRONJZPSFRDDKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N8S2/c1-12-7-16(29-25-12)23-18-19-21-9-15(13-8-22-27(20)10-13)26(19)11-17(24-18)28-14-5-3-2-4-6-14/h2-11H,20H2,1H3,(H,23,24).
What are the key properties of N-[3-(1-aminopyrazol-4-yl)-6-phenylsulfanylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine?
N-[3-(1-aminopyrazol-4-yl)-6-phenylsulfanylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine has a molecular weight of 420.53 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-aminopyrazol-4-yl)-6-phenylsulfanylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine is sourced from PubChem (CID 71196634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).