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

C19H15N7S2 — CID 25094209

IUPAC3-methyl-N-[6-phenylsulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
SMILESCc1cc(Nc2nc(Sc3ccccc3)cn3c(-c4cn[nH]c4)cnc23)sn1
InChIInChI=1S/C19H15N7S2/c1-12-7-16(28-25-12)23-18-19-20-10-15(13-8-21-22-9-13)26(19)11-17(24-18)27-14-5-3-2-4-6-14/h2-11H,1H3,(H,21,22)(H,23,24)
InChIKeyUZMSETOLUBXYPB-UHFFFAOYSA-N
MW405.51 g/mol
LogP4.78
Rot. Bonds5

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

3-methyl-N-[6-phenylsulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine (PubChem CID 25094209) has the molecular formula C19H15N7S2 and a molecular weight of 405.51 g/mol. Its IUPAC name is 3-methyl-N-[6-phenylsulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine.

Molecular Properties

Compound Name3-methyl-N-[6-phenylsulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
PubChem CID25094209
Molecular FormulaC19H15N7S2
Molecular Weight405.51 g/mol
Exact Mass405.08
IUPAC Name3-methyl-N-[6-phenylsulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
SMILESCc1cc(Nc2nc(Sc3ccccc3)cn3c(-c4cn[nH]c4)cnc23)sn1
InChIInChI=1S/C19H15N7S2/c1-12-7-16(28-25-12)23-18-19-20-10-15(13-8-21-22-9-13)26(19)11-17(24-18)27-14-5-3-2-4-6-14/h2-11H,1H3,(H,21,22)(H,23,24)
InChIKeyUZMSETOLUBXYPB-UHFFFAOYSA-N
XLogP4.78
TPSA83.79 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.51
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[6-phenylsulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?
The IUPAC name of 3-methyl-N-[6-phenylsulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine (CID 25094209) is 3-methyl-N-[6-phenylsulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine.
What is the SMILES notation for 3-methyl-N-[6-phenylsulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?
The canonical SMILES for 3-methyl-N-[6-phenylsulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine is Cc1cc(Nc2nc(Sc3ccccc3)cn3c(-c4cn[nH]c4)cnc23)sn1.
What is the InChIKey of 3-methyl-N-[6-phenylsulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?
The InChIKey is UZMSETOLUBXYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N7S2/c1-12-7-16(28-25-12)23-18-19-20-10-15(13-8-21-22-9-13)26(19)11-17(24-18)27-14-5-3-2-4-6-14/h2-11H,1H3,(H,21,22)(H,23,24).
What are the key properties of 3-methyl-N-[6-phenylsulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?
3-methyl-N-[6-phenylsulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine has a molecular weight of 405.51 g/mol, XLogP of 4.78, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[6-phenylsulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine is sourced from PubChem (CID 25094209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).