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

C15H15N7S2 — CID 25094243

IUPACN-[6-ethylsulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine
SMILESCCSc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(C)ns2)n1
InChIInChI=1S/C15H15N7S2/c1-3-23-13-8-22-11(10-5-17-18-6-10)7-16-15(22)14(20-13)19-12-4-9(2)21-24-12/h4-8H,3H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyVMQIKSUBUKPMBA-UHFFFAOYSA-N
MW357.47 g/mol
LogP3.74
Rot. Bonds5

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

N-[6-ethylsulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine (PubChem CID 25094243) has the molecular formula C15H15N7S2 and a molecular weight of 357.47 g/mol. Its IUPAC name is N-[6-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-ethylsulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine
PubChem CID25094243
Molecular FormulaC15H15N7S2
Molecular Weight357.47 g/mol
Exact Mass357.08
IUPAC NameN-[6-ethylsulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine
SMILESCCSc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(C)ns2)n1
InChIInChI=1S/C15H15N7S2/c1-3-23-13-8-22-11(10-5-17-18-6-10)7-16-15(22)14(20-13)19-12-4-9(2)21-24-12/h4-8H,3H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyVMQIKSUBUKPMBA-UHFFFAOYSA-N
XLogP3.74
TPSA83.79 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.47
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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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
N-(2-aminoethyl)-12-methyl-4-(1H-pyrazol-4-yl)-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 25093431
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-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-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-ethylsulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine (CID 25094243) is N-[6-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-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-ethylsulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine is CCSc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(C)ns2)n1.
What is the InChIKey of N-[6-ethylsulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine?
The InChIKey is VMQIKSUBUKPMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N7S2/c1-3-23-13-8-22-11(10-5-17-18-6-10)7-16-15(22)14(20-13)19-12-4-9(2)21-24-12/h4-8H,3H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of N-[6-ethylsulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine?
N-[6-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 357.47 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-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 25094243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).