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

C17H20N8S2 — CID 25144299

IUPAC3-[2-(dimethylamino)ethylsulfanylmethyl]-N-[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
SMILESCN(C)CCSCc1cc(Nc2nccn3c(-c4cn[nH]c4)cnc23)sn1
InChIInChI=1S/C17H20N8S2/c1-24(2)5-6-26-11-13-7-15(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)
InChIKeyQJZZAKFQWIHZIH-UHFFFAOYSA-N
MW400.54 g/mol
LogP3.11
Rot. Bonds8

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

3-[2-(dimethylamino)ethylsulfanylmethyl]-N-[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine (PubChem CID 25144299) has the molecular formula C17H20N8S2 and a molecular weight of 400.54 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethylsulfanylmethyl]-N-[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethylsulfanylmethyl]-N-[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
PubChem CID25144299
Molecular FormulaC17H20N8S2
Molecular Weight400.54 g/mol
Exact Mass400.13
IUPAC Name3-[2-(dimethylamino)ethylsulfanylmethyl]-N-[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
SMILESCN(C)CCSCc1cc(Nc2nccn3c(-c4cn[nH]c4)cnc23)sn1
InChIInChI=1S/C17H20N8S2/c1-24(2)5-6-26-11-13-7-15(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)
InChIKeyQJZZAKFQWIHZIH-UHFFFAOYSA-N
XLogP3.11
TPSA87.03 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.54
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethylsulfanylmethyl]-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)ethylsulfanylmethyl]-N-[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine (CID 25144299) is 3-[2-(dimethylamino)ethylsulfanylmethyl]-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)ethylsulfanylmethyl]-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)ethylsulfanylmethyl]-N-[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine is CN(C)CCSCc1cc(Nc2nccn3c(-c4cn[nH]c4)cnc23)sn1.
What is the InChIKey of 3-[2-(dimethylamino)ethylsulfanylmethyl]-N-[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?
The InChIKey is QJZZAKFQWIHZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N8S2/c1-24(2)5-6-26-11-13-7-15(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)ethylsulfanylmethyl]-N-[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?
3-[2-(dimethylamino)ethylsulfanylmethyl]-N-[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine has a molecular weight of 400.54 g/mol, XLogP of 3.11, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethylsulfanylmethyl]-N-[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine is sourced from PubChem (CID 25144299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).