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

C16H12N8S3 — CID 25094325

IUPAC3-methyl-N-[3-(1H-pyrazol-4-yl)-6-(1,3-thiazol-2-ylsulfanyl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
SMILESCc1cc(Nc2nc(Sc3nccs3)cn3c(-c4cn[nH]c4)cnc23)sn1
InChIInChI=1S/C16H12N8S3/c1-9-4-12(27-23-9)21-14-15-18-7-11(10-5-19-20-6-10)24(15)8-13(22-14)26-16-17-2-3-25-16/h2-8H,1H3,(H,19,20)(H,21,22)
InChIKeyRHODJCFBZXTOOF-UHFFFAOYSA-N
MW412.53 g/mol
LogP4.24
Rot. Bonds5

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

3-methyl-N-[3-(1H-pyrazol-4-yl)-6-(1,3-thiazol-2-ylsulfanyl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine (PubChem CID 25094325) has the molecular formula C16H12N8S3 and a molecular weight of 412.53 g/mol. Its IUPAC name is 3-methyl-N-[3-(1H-pyrazol-4-yl)-6-(1,3-thiazol-2-ylsulfanyl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine.

Molecular Properties

Compound Name3-methyl-N-[3-(1H-pyrazol-4-yl)-6-(1,3-thiazol-2-ylsulfanyl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
PubChem CID25094325
Molecular FormulaC16H12N8S3
Molecular Weight412.53 g/mol
Exact Mass412.03
IUPAC Name3-methyl-N-[3-(1H-pyrazol-4-yl)-6-(1,3-thiazol-2-ylsulfanyl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
SMILESCc1cc(Nc2nc(Sc3nccs3)cn3c(-c4cn[nH]c4)cnc23)sn1
InChIInChI=1S/C16H12N8S3/c1-9-4-12(27-23-9)21-14-15-18-7-11(10-5-19-20-6-10)24(15)8-13(22-14)26-16-17-2-3-25-16/h2-8H,1H3,(H,19,20)(H,21,22)
InChIKeyRHODJCFBZXTOOF-UHFFFAOYSA-N
XLogP4.24
TPSA96.68 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-(1H-pyrazol-4-yl)-6-(1,3-thiazol-2-ylsulfanyl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?
The IUPAC name of 3-methyl-N-[3-(1H-pyrazol-4-yl)-6-(1,3-thiazol-2-ylsulfanyl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine (CID 25094325) is 3-methyl-N-[3-(1H-pyrazol-4-yl)-6-(1,3-thiazol-2-ylsulfanyl)imidazo[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-(1,3-thiazol-2-ylsulfanyl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?
The canonical SMILES for 3-methyl-N-[3-(1H-pyrazol-4-yl)-6-(1,3-thiazol-2-ylsulfanyl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine is Cc1cc(Nc2nc(Sc3nccs3)cn3c(-c4cn[nH]c4)cnc23)sn1.
What is the InChIKey of 3-methyl-N-[3-(1H-pyrazol-4-yl)-6-(1,3-thiazol-2-ylsulfanyl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?
The InChIKey is RHODJCFBZXTOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N8S3/c1-9-4-12(27-23-9)21-14-15-18-7-11(10-5-19-20-6-10)24(15)8-13(22-14)26-16-17-2-3-25-16/h2-8H,1H3,(H,19,20)(H,21,22).
What are the key properties of 3-methyl-N-[3-(1H-pyrazol-4-yl)-6-(1,3-thiazol-2-ylsulfanyl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?
3-methyl-N-[3-(1H-pyrazol-4-yl)-6-(1,3-thiazol-2-ylsulfanyl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine has a molecular weight of 412.53 g/mol, XLogP of 4.24, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-(1H-pyrazol-4-yl)-6-(1,3-thiazol-2-ylsulfanyl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine is sourced from PubChem (CID 25094325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).