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

C17H20N8S2 — CID 56666402

IUPACN-[6-[2-(dimethylamino)ethylsulfanyl]-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine
SMILESCc1cc(Nc2nc(SCCN(C)C)cn3c(-c4cn[nH]c4)cnc23)sn1
InChIInChI=1S/C17H20N8S2/c1-11-6-14(27-23-11)21-16-17-18-9-13(12-7-19-20-8-12)25(17)10-15(22-16)26-5-4-24(2)3/h6-10H,4-5H2,1-3H3,(H,19,20)(H,21,22)
InChIKeyCEAQTTJXUPADGI-UHFFFAOYSA-N
MW400.54 g/mol
LogP3.28
Rot. Bonds7

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

N-[6-[2-(dimethylamino)ethylsulfanyl]-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine (PubChem CID 56666402) has the molecular formula C17H20N8S2 and a molecular weight of 400.54 g/mol. Its IUPAC name is N-[6-[2-(dimethylamino)ethylsulfanyl]-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine.

Molecular Properties

Compound NameN-[6-[2-(dimethylamino)ethylsulfanyl]-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine
PubChem CID56666402
Molecular FormulaC17H20N8S2
Molecular Weight400.54 g/mol
Exact Mass400.13
IUPAC NameN-[6-[2-(dimethylamino)ethylsulfanyl]-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine
SMILESCc1cc(Nc2nc(SCCN(C)C)cn3c(-c4cn[nH]c4)cnc23)sn1
InChIInChI=1S/C17H20N8S2/c1-11-6-14(27-23-11)21-16-17-18-9-13(12-7-19-20-8-12)25(17)10-15(22-16)26-5-4-24(2)3/h6-10H,4-5H2,1-3H3,(H,19,20)(H,21,22)
InChIKeyCEAQTTJXUPADGI-UHFFFAOYSA-N
XLogP3.28
TPSA87.03 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.54
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[6-[2-(dimethylamino)ethylsulfanyl]-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine with MolForge

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Related Compounds

2-(Ethyl((5-((6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl)amino)isothiazol-3-yl)methyl)amino)-2-methylpropan-1-ol
CID 25144732
N-(3-methylisothiazol-5-yl)-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine
CID 49867401
SCH-1473759 hydrochloride
CID 53317913
2-[ethyl-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]amino]ethanol
CID 145967951
3-methyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
CID 11580435
3-methyl-N-[3-(1-methylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
CID 16666228
3-methyl-N-[6-methylsulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
CID 25094210
N-[6-ethylsulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine
CID 25094243
N-[6-tert-butylsulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine
CID 25094245
N-[6-(4-fluorophenyl)sulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine
CID 25094283
N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-(piperidin-1-ylmethyl)-1,2-thiazol-5-amine
CID 25144294
3-[(4-methylpiperazin-1-yl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
CID 25144582

Frequently Asked Questions

What is the IUPAC name of N-[6-[2-(dimethylamino)ethylsulfanyl]-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine?
The IUPAC name of N-[6-[2-(dimethylamino)ethylsulfanyl]-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine (CID 56666402) is N-[6-[2-(dimethylamino)ethylsulfanyl]-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine.
What is the SMILES notation for N-[6-[2-(dimethylamino)ethylsulfanyl]-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine?
The canonical SMILES for N-[6-[2-(dimethylamino)ethylsulfanyl]-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine is Cc1cc(Nc2nc(SCCN(C)C)cn3c(-c4cn[nH]c4)cnc23)sn1.
What is the InChIKey of N-[6-[2-(dimethylamino)ethylsulfanyl]-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine?
The InChIKey is CEAQTTJXUPADGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N8S2/c1-11-6-14(27-23-11)21-16-17-18-9-13(12-7-19-20-8-12)25(17)10-15(22-16)26-5-4-24(2)3/h6-10H,4-5H2,1-3H3,(H,19,20)(H,21,22).
What are the key properties of N-[6-[2-(dimethylamino)ethylsulfanyl]-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine?
N-[6-[2-(dimethylamino)ethylsulfanyl]-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine has a molecular weight of 400.54 g/mol, XLogP of 3.28, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-(dimethylamino)ethylsulfanyl]-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine is sourced from PubChem (CID 56666402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).