N-(3,6-dimethylimidazo[1,2-a]pyrazin-8-yl)-3-(piperidin-1-ylmethyl)-1,2-thiazol-5-amine

C17H22N6S — CID 59503814

IUPACN-(3,6-dimethylimidazo[1,2-a]pyrazin-8-yl)-3-(piperidin-1-ylmethyl)-1,2-thiazol-5-amine
SMILESCc1cn2c(C)cnc2c(Nc2cc(CN3CCCCC3)ns2)n1
InChIInChI=1S/C17H22N6S/c1-12-10-23-13(2)9-18-17(23)16(19-12)20-15-8-14(21-24-15)11-22-6-4-3-5-7-22/h8-10H,3-7,11H2,1-2H3,(H,19,20)
InChIKeyUISPAKJJOHDYIK-UHFFFAOYSA-N
MW342.47 g/mol
LogP3.53
Rot. Bonds4

About N-(3,6-dimethylimidazo[1,2-a]pyrazin-8-yl)-3-(piperidin-1-ylmethyl)-1,2-thiazol-5-amine

N-(3,6-dimethylimidazo[1,2-a]pyrazin-8-yl)-3-(piperidin-1-ylmethyl)-1,2-thiazol-5-amine (PubChem CID 59503814) has the molecular formula C17H22N6S and a molecular weight of 342.47 g/mol. Its IUPAC name is N-(3,6-dimethylimidazo[1,2-a]pyrazin-8-yl)-3-(piperidin-1-ylmethyl)-1,2-thiazol-5-amine.

Molecular Properties

Compound NameN-(3,6-dimethylimidazo[1,2-a]pyrazin-8-yl)-3-(piperidin-1-ylmethyl)-1,2-thiazol-5-amine
PubChem CID59503814
Molecular FormulaC17H22N6S
Molecular Weight342.47 g/mol
Exact Mass342.16
IUPAC NameN-(3,6-dimethylimidazo[1,2-a]pyrazin-8-yl)-3-(piperidin-1-ylmethyl)-1,2-thiazol-5-amine
SMILESCc1cn2c(C)cnc2c(Nc2cc(CN3CCCCC3)ns2)n1
InChIInChI=1S/C17H22N6S/c1-12-10-23-13(2)9-18-17(23)16(19-12)20-15-8-14(21-24-15)11-22-6-4-3-5-7-22/h8-10H,3-7,11H2,1-2H3,(H,19,20)
InChIKeyUISPAKJJOHDYIK-UHFFFAOYSA-N
XLogP3.53
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3,6-dimethylimidazo[1,2-a]pyrazin-8-yl)-3-(piperidin-1-ylmethyl)-1,2-thiazol-5-amine?
The IUPAC name of N-(3,6-dimethylimidazo[1,2-a]pyrazin-8-yl)-3-(piperidin-1-ylmethyl)-1,2-thiazol-5-amine (CID 59503814) is N-(3,6-dimethylimidazo[1,2-a]pyrazin-8-yl)-3-(piperidin-1-ylmethyl)-1,2-thiazol-5-amine.
What is the SMILES notation for N-(3,6-dimethylimidazo[1,2-a]pyrazin-8-yl)-3-(piperidin-1-ylmethyl)-1,2-thiazol-5-amine?
The canonical SMILES for N-(3,6-dimethylimidazo[1,2-a]pyrazin-8-yl)-3-(piperidin-1-ylmethyl)-1,2-thiazol-5-amine is Cc1cn2c(C)cnc2c(Nc2cc(CN3CCCCC3)ns2)n1.
What is the InChIKey of N-(3,6-dimethylimidazo[1,2-a]pyrazin-8-yl)-3-(piperidin-1-ylmethyl)-1,2-thiazol-5-amine?
The InChIKey is UISPAKJJOHDYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6S/c1-12-10-23-13(2)9-18-17(23)16(19-12)20-15-8-14(21-24-15)11-22-6-4-3-5-7-22/h8-10H,3-7,11H2,1-2H3,(H,19,20).
What are the key properties of N-(3,6-dimethylimidazo[1,2-a]pyrazin-8-yl)-3-(piperidin-1-ylmethyl)-1,2-thiazol-5-amine?
N-(3,6-dimethylimidazo[1,2-a]pyrazin-8-yl)-3-(piperidin-1-ylmethyl)-1,2-thiazol-5-amine has a molecular weight of 342.47 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,6-dimethylimidazo[1,2-a]pyrazin-8-yl)-3-(piperidin-1-ylmethyl)-1,2-thiazol-5-amine is sourced from PubChem (CID 59503814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).