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

C17H20N8OS2 — CID 25144432

IUPAC3-[2-(dimethylamino)ethylsulfinylmethyl]-N-[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
SMILESCN(C)CCS(=O)Cc1cc(Nc2nccn3c(-c4cn[nH]c4)cnc23)sn1
InChIInChI=1S/C17H20N8OS2/c1-24(2)5-6-28(26)11-13-7-15(27-23-13)22-16-17-19-10-14(12-8-20-21-9-12)25(17)4-3-18-16/h3-4,7-10H,5-6,11H2,1-2H3,(H,18,22)(H,20,21)
InChIKeyJJYBYOYDMQLAQO-UHFFFAOYSA-N
MW416.54 g/mol
LogP2.13
Rot. Bonds8

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

3-[2-(dimethylamino)ethylsulfinylmethyl]-N-[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine (PubChem CID 25144432) has the molecular formula C17H20N8OS2 and a molecular weight of 416.54 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethylsulfinylmethyl]-N-[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethylsulfinylmethyl]-N-[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
PubChem CID25144432
Molecular FormulaC17H20N8OS2
Molecular Weight416.54 g/mol
Exact Mass416.12
IUPAC Name3-[2-(dimethylamino)ethylsulfinylmethyl]-N-[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
SMILESCN(C)CCS(=O)Cc1cc(Nc2nccn3c(-c4cn[nH]c4)cnc23)sn1
InChIInChI=1S/C17H20N8OS2/c1-24(2)5-6-28(26)11-13-7-15(27-23-13)22-16-17-19-10-14(12-8-20-21-9-12)25(17)4-3-18-16/h3-4,7-10H,5-6,11H2,1-2H3,(H,18,22)(H,20,21)
InChIKeyJJYBYOYDMQLAQO-UHFFFAOYSA-N
XLogP2.13
TPSA104.10 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.54
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethylsulfinylmethyl]-N-[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?
The IUPAC name of 3-[2-(dimethylamino)ethylsulfinylmethyl]-N-[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine (CID 25144432) is 3-[2-(dimethylamino)ethylsulfinylmethyl]-N-[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine.
What is the SMILES notation for 3-[2-(dimethylamino)ethylsulfinylmethyl]-N-[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?
The canonical SMILES for 3-[2-(dimethylamino)ethylsulfinylmethyl]-N-[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine is CN(C)CCS(=O)Cc1cc(Nc2nccn3c(-c4cn[nH]c4)cnc23)sn1.
What is the InChIKey of 3-[2-(dimethylamino)ethylsulfinylmethyl]-N-[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?
The InChIKey is JJYBYOYDMQLAQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N8OS2/c1-24(2)5-6-28(26)11-13-7-15(27-23-13)22-16-17-19-10-14(12-8-20-21-9-12)25(17)4-3-18-16/h3-4,7-10H,5-6,11H2,1-2H3,(H,18,22)(H,20,21).
What are the key properties of 3-[2-(dimethylamino)ethylsulfinylmethyl]-N-[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?
3-[2-(dimethylamino)ethylsulfinylmethyl]-N-[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine has a molecular weight of 416.54 g/mol, XLogP of 2.13, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethylsulfinylmethyl]-N-[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine is sourced from PubChem (CID 25144432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).