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

C17H19F3N6S — CID 59503485

IUPACN-[6-methyl-3-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]-3-(piperidin-1-ylmethyl)-1,2-thiazol-5-amine
SMILESCc1cn2c(C(F)(F)F)cnc2c(Nc2cc(CN3CCCCC3)ns2)n1
InChIInChI=1S/C17H19F3N6S/c1-11-9-26-13(17(18,19)20)8-21-16(26)15(22-11)23-14-7-12(24-27-14)10-25-5-3-2-4-6-25/h7-9H,2-6,10H2,1H3,(H,22,23)
InChIKeyGJBINHLHGNSLBO-UHFFFAOYSA-N
MW396.44 g/mol
LogP4.24
Rot. Bonds4

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

N-[6-methyl-3-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]-3-(piperidin-1-ylmethyl)-1,2-thiazol-5-amine (PubChem CID 59503485) has the molecular formula C17H19F3N6S and a molecular weight of 396.44 g/mol. Its IUPAC name is N-[6-methyl-3-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]-3-(piperidin-1-ylmethyl)-1,2-thiazol-5-amine.

Molecular Properties

Compound NameN-[6-methyl-3-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]-3-(piperidin-1-ylmethyl)-1,2-thiazol-5-amine
PubChem CID59503485
Molecular FormulaC17H19F3N6S
Molecular Weight396.44 g/mol
Exact Mass396.13
IUPAC NameN-[6-methyl-3-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]-3-(piperidin-1-ylmethyl)-1,2-thiazol-5-amine
SMILESCc1cn2c(C(F)(F)F)cnc2c(Nc2cc(CN3CCCCC3)ns2)n1
InChIInChI=1S/C17H19F3N6S/c1-11-9-26-13(17(18,19)20)8-21-16(26)15(22-11)23-14-7-12(24-27-14)10-25-5-3-2-4-6-25/h7-9H,2-6,10H2,1H3,(H,22,23)
InChIKeyGJBINHLHGNSLBO-UHFFFAOYSA-N
XLogP4.24
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-methyl-3-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]-3-(piperidin-1-ylmethyl)-1,2-thiazol-5-amine?
The IUPAC name of N-[6-methyl-3-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]-3-(piperidin-1-ylmethyl)-1,2-thiazol-5-amine (CID 59503485) is N-[6-methyl-3-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]-3-(piperidin-1-ylmethyl)-1,2-thiazol-5-amine.
What is the SMILES notation for N-[6-methyl-3-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]-3-(piperidin-1-ylmethyl)-1,2-thiazol-5-amine?
The canonical SMILES for N-[6-methyl-3-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]-3-(piperidin-1-ylmethyl)-1,2-thiazol-5-amine is Cc1cn2c(C(F)(F)F)cnc2c(Nc2cc(CN3CCCCC3)ns2)n1.
What is the InChIKey of N-[6-methyl-3-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]-3-(piperidin-1-ylmethyl)-1,2-thiazol-5-amine?
The InChIKey is GJBINHLHGNSLBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N6S/c1-11-9-26-13(17(18,19)20)8-21-16(26)15(22-11)23-14-7-12(24-27-14)10-25-5-3-2-4-6-25/h7-9H,2-6,10H2,1H3,(H,22,23).
What are the key properties of N-[6-methyl-3-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]-3-(piperidin-1-ylmethyl)-1,2-thiazol-5-amine?
N-[6-methyl-3-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]-3-(piperidin-1-ylmethyl)-1,2-thiazol-5-amine has a molecular weight of 396.44 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-methyl-3-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]-3-(piperidin-1-ylmethyl)-1,2-thiazol-5-amine is sourced from PubChem (CID 59503485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).