N-methyl-8-(1,4-thiazepan-4-yl)imidazo[1,2-a]pyrazin-6-amine

C12H17N5S — CID 80796047

IUPACN-methyl-8-(1,4-thiazepan-4-yl)imidazo[1,2-a]pyrazin-6-amine
SMILESCNc1cn2ccnc2c(N2CCCSCC2)n1
InChIInChI=1S/C12H17N5S/c1-13-10-9-17-5-3-14-11(17)12(15-10)16-4-2-7-18-8-6-16/h3,5,9,13H,2,4,6-8H2,1H3
InChIKeyZSJNYPZAGMPKGX-UHFFFAOYSA-N
MW263.37 g/mol
LogP1.71
Rot. Bonds2

About N-methyl-8-(1,4-thiazepan-4-yl)imidazo[1,2-a]pyrazin-6-amine

N-methyl-8-(1,4-thiazepan-4-yl)imidazo[1,2-a]pyrazin-6-amine (PubChem CID 80796047) has the molecular formula C12H17N5S and a molecular weight of 263.37 g/mol. Its IUPAC name is N-methyl-8-(1,4-thiazepan-4-yl)imidazo[1,2-a]pyrazin-6-amine.

Molecular Properties

Compound NameN-methyl-8-(1,4-thiazepan-4-yl)imidazo[1,2-a]pyrazin-6-amine
PubChem CID80796047
Molecular FormulaC12H17N5S
Molecular Weight263.37 g/mol
Exact Mass263.12
IUPAC NameN-methyl-8-(1,4-thiazepan-4-yl)imidazo[1,2-a]pyrazin-6-amine
SMILESCNc1cn2ccnc2c(N2CCCSCC2)n1
InChIInChI=1S/C12H17N5S/c1-13-10-9-17-5-3-14-11(17)12(15-10)16-4-2-7-18-8-6-16/h3,5,9,13H,2,4,6-8H2,1H3
InChIKeyZSJNYPZAGMPKGX-UHFFFAOYSA-N
XLogP1.71
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(8-thiomorpholin-4-ylimidazo[1,2-a]pyrazin-6-yl)hydrazine
CID 80932341
8-(4,4-dimethylpiperidin-1-yl)-N-methylimidazo[1,2-a]pyrazin-6-amine
CID 80823258
8-(4-methoxypiperidin-1-yl)-N-methylimidazo[1,2-a]pyrazin-6-amine
CID 80782616
N-methyl-8-(3-methylpyrrolidin-1-yl)imidazo[1,2-a]pyrazin-6-amine
CID 80797840
8-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-methylimidazo[1,2-a]pyrazin-6-amine
CID 80774654
1-[6-(methylamino)imidazo[1,2-a]pyrazin-8-yl]piperidine-4-carboxamide
CID 80754104
8-(3-ethyl-4-methylpiperazin-1-yl)-N-methylimidazo[1,2-a]pyrazin-6-amine
CID 80833879
1,3,3-trimethyl-4-[6-(methylamino)imidazo[1,2-a]pyrazin-8-yl]piperazin-2-one
CID 80839980
N-methyl-8-(2-propan-2-ylpyrrolidin-1-yl)imidazo[1,2-a]pyrazin-6-amine
CID 80855735
1-[4-(6-hydrazinylimidazo[1,2-a]pyrazin-8-yl)piperazin-1-yl]ethanone
CID 80927836
8-(2-ethylpiperidin-1-yl)-N-methylimidazo[1,2-a]pyrazin-6-amine
CID 80773843
1-[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]-4-methylazepan-4-ol
CID 107409030

Frequently Asked Questions

What is the IUPAC name of N-methyl-8-(1,4-thiazepan-4-yl)imidazo[1,2-a]pyrazin-6-amine?
The IUPAC name of N-methyl-8-(1,4-thiazepan-4-yl)imidazo[1,2-a]pyrazin-6-amine (CID 80796047) is N-methyl-8-(1,4-thiazepan-4-yl)imidazo[1,2-a]pyrazin-6-amine.
What is the SMILES notation for N-methyl-8-(1,4-thiazepan-4-yl)imidazo[1,2-a]pyrazin-6-amine?
The canonical SMILES for N-methyl-8-(1,4-thiazepan-4-yl)imidazo[1,2-a]pyrazin-6-amine is CNc1cn2ccnc2c(N2CCCSCC2)n1.
What is the InChIKey of N-methyl-8-(1,4-thiazepan-4-yl)imidazo[1,2-a]pyrazin-6-amine?
The InChIKey is ZSJNYPZAGMPKGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5S/c1-13-10-9-17-5-3-14-11(17)12(15-10)16-4-2-7-18-8-6-16/h3,5,9,13H,2,4,6-8H2,1H3.
What are the key properties of N-methyl-8-(1,4-thiazepan-4-yl)imidazo[1,2-a]pyrazin-6-amine?
N-methyl-8-(1,4-thiazepan-4-yl)imidazo[1,2-a]pyrazin-6-amine has a molecular weight of 263.37 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-8-(1,4-thiazepan-4-yl)imidazo[1,2-a]pyrazin-6-amine is sourced from PubChem (CID 80796047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).