8-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine

C13H16N6S — CID 80807926

IUPAC8-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine
SMILESCc1nc(C)c(C(C)Nc2nc(N)cn3ccnc23)s1
InChIInChI=1S/C13H16N6S/c1-7-11(20-9(3)16-7)8(2)17-12-13-15-4-5-19(13)6-10(14)18-12/h4-6,8H,14H2,1-3H3,(H,17,18)
InChIKeyIGYJLAQHUXIKFK-UHFFFAOYSA-N
MW288.38 g/mol
LogP2.56
Rot. Bonds3

About 8-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine

8-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine (PubChem CID 80807926) has the molecular formula C13H16N6S and a molecular weight of 288.38 g/mol. Its IUPAC name is 8-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine.

Molecular Properties

Compound Name8-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine
PubChem CID80807926
Molecular FormulaC13H16N6S
Molecular Weight288.38 g/mol
Exact Mass288.12
IUPAC Name8-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine
SMILESCc1nc(C)c(C(C)Nc2nc(N)cn3ccnc23)s1
InChIInChI=1S/C13H16N6S/c1-7-11(20-9(3)16-7)8(2)17-12-13-15-4-5-19(13)6-10(14)18-12/h4-6,8H,14H2,1-3H3,(H,17,18)
InChIKeyIGYJLAQHUXIKFK-UHFFFAOYSA-N
XLogP2.56
TPSA81.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

8-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine
CID 80848887
8-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine
CID 106390408
8-N-(5-methylhexan-2-yl)imidazo[1,2-a]pyrazine-6,8-diamine
CID 80838339
(2S)-2-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)amino]-3-methylbutan-1-ol
CID 80848904
8-N-(1-methoxy-3-methylbutan-2-yl)imidazo[1,2-a]pyrazine-6,8-diamine
CID 80841305
4-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-methylpyrimidine-2,4-diamine
CID 80808190
3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-1-(2-methylpropyl)pyrazin-2-one
CID 62939708
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-ethylimidazol-2-amine
CID 62138789
2-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)amino]-N-propylpropanamide
CID 80800872
5-bromo-2-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyridine-2,3-diamine
CID 54964038
3,5-dichloro-6-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyridine-2,6-diamine
CID 102757058
8-N-(2-cyclopropylpropyl)imidazo[1,2-a]pyrazine-6,8-diamine
CID 113476564

Frequently Asked Questions

What is the IUPAC name of 8-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine?
The IUPAC name of 8-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine (CID 80807926) is 8-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine.
What is the SMILES notation for 8-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine?
The canonical SMILES for 8-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine is Cc1nc(C)c(C(C)Nc2nc(N)cn3ccnc23)s1.
What is the InChIKey of 8-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine?
The InChIKey is IGYJLAQHUXIKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6S/c1-7-11(20-9(3)16-7)8(2)17-12-13-15-4-5-19(13)6-10(14)18-12/h4-6,8H,14H2,1-3H3,(H,17,18).
What are the key properties of 8-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine?
8-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine has a molecular weight of 288.38 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine is sourced from PubChem (CID 80807926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).