N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]-1-(2-piperidin-1-ylethyl)triazole-4-carboxamide

C17H24N8OS — CID 42529427

IUPACN-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]-1-(2-piperidin-1-ylethyl)triazole-4-carboxamide
SMILESCc1nn2cc(CCNC(=O)c3cn(CCN4CCCCC4)nn3)nc2s1
InChIInChI=1S/C17H24N8OS/c1-13-21-25-11-14(19-17(25)27-13)5-6-18-16(26)15-12-24(22-20-15)10-9-23-7-3-2-4-8-23/h11-12H,2-10H2,1H3,(H,18,26)
InChIKeyCVCWLRHYLOMLLY-UHFFFAOYSA-N
MW388.50 g/mol
LogP1.15
Rot. Bonds7

About N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]-1-(2-piperidin-1-ylethyl)triazole-4-carboxamide

N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]-1-(2-piperidin-1-ylethyl)triazole-4-carboxamide (PubChem CID 42529427) has the molecular formula C17H24N8OS and a molecular weight of 388.50 g/mol. Its IUPAC name is N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]-1-(2-piperidin-1-ylethyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]-1-(2-piperidin-1-ylethyl)triazole-4-carboxamide
PubChem CID42529427
Molecular FormulaC17H24N8OS
Molecular Weight388.50 g/mol
Exact Mass388.18
IUPAC NameN-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]-1-(2-piperidin-1-ylethyl)triazole-4-carboxamide
SMILESCc1nn2cc(CCNC(=O)c3cn(CCN4CCCCC4)nn3)nc2s1
InChIInChI=1S/C17H24N8OS/c1-13-21-25-11-14(19-17(25)27-13)5-6-18-16(26)15-12-24(22-20-15)10-9-23-7-3-2-4-8-23/h11-12H,2-10H2,1H3,(H,18,26)
InChIKeyCVCWLRHYLOMLLY-UHFFFAOYSA-N
XLogP1.15
TPSA93.24 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.50
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]-1-(2-piperidin-1-ylethyl)triazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]-1-(2-piperidin-1-ylethyl)triazole-4-carboxamide?
The IUPAC name of N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]-1-(2-piperidin-1-ylethyl)triazole-4-carboxamide (CID 42529427) is N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]-1-(2-piperidin-1-ylethyl)triazole-4-carboxamide.
What is the SMILES notation for N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]-1-(2-piperidin-1-ylethyl)triazole-4-carboxamide?
The canonical SMILES for N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]-1-(2-piperidin-1-ylethyl)triazole-4-carboxamide is Cc1nn2cc(CCNC(=O)c3cn(CCN4CCCCC4)nn3)nc2s1.
What is the InChIKey of N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]-1-(2-piperidin-1-ylethyl)triazole-4-carboxamide?
The InChIKey is CVCWLRHYLOMLLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N8OS/c1-13-21-25-11-14(19-17(25)27-13)5-6-18-16(26)15-12-24(22-20-15)10-9-23-7-3-2-4-8-23/h11-12H,2-10H2,1H3,(H,18,26).
What are the key properties of N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]-1-(2-piperidin-1-ylethyl)triazole-4-carboxamide?
N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]-1-(2-piperidin-1-ylethyl)triazole-4-carboxamide has a molecular weight of 388.50 g/mol, XLogP of 1.15, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]-1-(2-piperidin-1-ylethyl)triazole-4-carboxamide is sourced from PubChem (CID 42529427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).