2-methyl-N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]-6-piperidin-4-ylpyrimidin-4-amine

C17H23N7S — CID 45176780

IUPAC2-methyl-N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]-6-piperidin-4-ylpyrimidin-4-amine
SMILESCc1nc(NCCc2cn3nc(C)sc3n2)cc(C2CCNCC2)n1
InChIInChI=1S/C17H23N7S/c1-11-20-15(13-3-6-18-7-4-13)9-16(21-11)19-8-5-14-10-24-17(22-14)25-12(2)23-24/h9-10,13,18H,3-8H2,1-2H3,(H,19,20,21)
InChIKeyAFNYXELUVWFOKJ-UHFFFAOYSA-N
MW357.49 g/mol
LogP2.32
Rot. Bonds5

About 2-methyl-N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]-6-piperidin-4-ylpyrimidin-4-amine

2-methyl-N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]-6-piperidin-4-ylpyrimidin-4-amine (PubChem CID 45176780) has the molecular formula C17H23N7S and a molecular weight of 357.49 g/mol. Its IUPAC name is 2-methyl-N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]-6-piperidin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]-6-piperidin-4-ylpyrimidin-4-amine
PubChem CID45176780
Molecular FormulaC17H23N7S
Molecular Weight357.49 g/mol
Exact Mass357.17
IUPAC Name2-methyl-N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]-6-piperidin-4-ylpyrimidin-4-amine
SMILESCc1nc(NCCc2cn3nc(C)sc3n2)cc(C2CCNCC2)n1
InChIInChI=1S/C17H23N7S/c1-11-20-15(13-3-6-18-7-4-13)9-16(21-11)19-8-5-14-10-24-17(22-14)25-12(2)23-24/h9-10,13,18H,3-8H2,1-2H3,(H,19,20,21)
InChIKeyAFNYXELUVWFOKJ-UHFFFAOYSA-N
XLogP2.32
TPSA80.03 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.49
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]-6-piperidin-4-ylpyrimidin-4-amine?
The IUPAC name of 2-methyl-N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]-6-piperidin-4-ylpyrimidin-4-amine (CID 45176780) is 2-methyl-N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]-6-piperidin-4-ylpyrimidin-4-amine.
What is the SMILES notation for 2-methyl-N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]-6-piperidin-4-ylpyrimidin-4-amine?
The canonical SMILES for 2-methyl-N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]-6-piperidin-4-ylpyrimidin-4-amine is Cc1nc(NCCc2cn3nc(C)sc3n2)cc(C2CCNCC2)n1.
What is the InChIKey of 2-methyl-N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]-6-piperidin-4-ylpyrimidin-4-amine?
The InChIKey is AFNYXELUVWFOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7S/c1-11-20-15(13-3-6-18-7-4-13)9-16(21-11)19-8-5-14-10-24-17(22-14)25-12(2)23-24/h9-10,13,18H,3-8H2,1-2H3,(H,19,20,21).
What are the key properties of 2-methyl-N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]-6-piperidin-4-ylpyrimidin-4-amine?
2-methyl-N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]-6-piperidin-4-ylpyrimidin-4-amine has a molecular weight of 357.49 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]-6-piperidin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 45176780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).