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N-methyl-1-[1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-3-yl]pyrazole-3-carboxamide

C15H19N7OS — CID 128977538

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-methyl-1-[1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-3-yl]pyrazole-3-carboxamide
SMILESCNC(=O)c1ccn(C2CCCN(c3nn4cc(C)nc4s3)C2)n1
InChIInChI=1S/C15H19N7OS/c1-10-8-22-14(17-10)24-15(19-22)20-6-3-4-11(9-20)21-7-5-12(18-21)13(23)16-2/h5,7-8,11H,3-4,6,9H2,1-2H3,(H,16,23)
InChIKeyPTUHLRIGVIEWFO-UHFFFAOYSA-N
MW345.43 g/mol
LogP1.50
Rot. Bonds3

About N-methyl-1-[1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-3-yl]pyrazole-3-carboxamide

N-methyl-1-[1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-3-yl]pyrazole-3-carboxamide (PubChem CID 128977538) has the molecular formula C15H19N7OS and a molecular weight of 345.43 g/mol. Its IUPAC name is N-methyl-1-[1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-3-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-methyl-1-[1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-3-yl]pyrazole-3-carboxamide
PubChem CID128977538
Molecular FormulaC15H19N7OS
Molecular Weight345.43 g/mol
Exact Mass345.14
IUPAC NameN-methyl-1-[1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-3-yl]pyrazole-3-carboxamide
SMILESCNC(=O)c1ccn(C2CCCN(c3nn4cc(C)nc4s3)C2)n1
InChIInChI=1S/C15H19N7OS/c1-10-8-22-14(17-10)24-15(19-22)20-6-3-4-11(9-20)21-7-5-12(18-21)13(23)16-2/h5,7-8,11H,3-4,6,9H2,1-2H3,(H,16,23)
InChIKeyPTUHLRIGVIEWFO-UHFFFAOYSA-N
XLogP1.50
TPSA80.35 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-3-yl]pyrazole-3-carboxamide?
The IUPAC name of N-methyl-1-[1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-3-yl]pyrazole-3-carboxamide (CID 128977538) is N-methyl-1-[1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-3-yl]pyrazole-3-carboxamide.
What is the SMILES notation for N-methyl-1-[1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-3-yl]pyrazole-3-carboxamide?
The canonical SMILES for N-methyl-1-[1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-3-yl]pyrazole-3-carboxamide is CNC(=O)c1ccn(C2CCCN(c3nn4cc(C)nc4s3)C2)n1.
What is the InChIKey of N-methyl-1-[1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-3-yl]pyrazole-3-carboxamide?
The InChIKey is PTUHLRIGVIEWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N7OS/c1-10-8-22-14(17-10)24-15(19-22)20-6-3-4-11(9-20)21-7-5-12(18-21)13(23)16-2/h5,7-8,11H,3-4,6,9H2,1-2H3,(H,16,23).
What are the key properties of N-methyl-1-[1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-3-yl]pyrazole-3-carboxamide?
N-methyl-1-[1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-3-yl]pyrazole-3-carboxamide has a molecular weight of 345.43 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-3-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 128977538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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