N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-[[(3R)-piperidin-3-yl]methyl]triazole-4-carboxamide

C15H21N7OS — CID 95120626

IUPACN-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-[[(3R)-piperidin-3-yl]methyl]triazole-4-carboxamide
SMILESO=C(NCc1cn2c(n1)SCC2)c1cn(C[C@@H]2CCCNC2)nn1
InChIInChI=1S/C15H21N7OS/c23-14(17-7-12-9-21-4-5-24-15(21)18-12)13-10-22(20-19-13)8-11-2-1-3-16-6-11/h9-11,16H,1-8H2,(H,17,23)/t11-/m1/s1
InChIKeyIILUPISXGNAXDL-LLVKDONJSA-N
MW347.45 g/mol
LogP0.51
Rot. Bonds5

About N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-[[(3R)-piperidin-3-yl]methyl]triazole-4-carboxamide

N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-[[(3R)-piperidin-3-yl]methyl]triazole-4-carboxamide (PubChem CID 95120626) has the molecular formula C15H21N7OS and a molecular weight of 347.45 g/mol. Its IUPAC name is N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-[[(3R)-piperidin-3-yl]methyl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-[[(3R)-piperidin-3-yl]methyl]triazole-4-carboxamide
PubChem CID95120626
Molecular FormulaC15H21N7OS
Molecular Weight347.45 g/mol
Exact Mass347.15
IUPAC NameN-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-[[(3R)-piperidin-3-yl]methyl]triazole-4-carboxamide
SMILESO=C(NCc1cn2c(n1)SCC2)c1cn(C[C@@H]2CCCNC2)nn1
InChIInChI=1S/C15H21N7OS/c23-14(17-7-12-9-21-4-5-24-15(21)18-12)13-10-22(20-19-13)8-11-2-1-3-16-6-11/h9-11,16H,1-8H2,(H,17,23)/t11-/m1/s1
InChIKeyIILUPISXGNAXDL-LLVKDONJSA-N
XLogP0.51
TPSA89.66 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.45
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-[[(3R)-piperidin-3-yl]methyl]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

Related Compounds

N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-1-(piperidin-3-ylmethyl)triazole-4-carboxamide
CID 56713630
N-[(5-ethyl-2-pyridinyl)methyl]-1-[[(3S)-piperidin-3-yl]methyl]triazole-4-carboxamide
CID 95146832
1-(piperidin-3-ylmethyl)-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]triazole-4-carboxamide
CID 50949291
N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-1-[[(3R)-piperidin-3-yl]methyl]triazole-4-carboxamide
CID 95218053
N-[2-(2-oxopyrrolidin-1-yl)ethyl]-1-[[(3S)-piperidin-3-yl]methyl]triazole-4-carboxamide
CID 95149109
N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-(piperidin-3-ylmethyl)triazole-4-carboxamide
CID 135990311
N-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methyl]-1-(piperidin-3-ylmethyl)triazole-4-carboxamide
CID 56718968
N-[2-[methyl(methylsulfonyl)amino]ethyl]-1-[[(3R)-piperidin-3-yl]methyl]triazole-4-carboxamide
CID 95205588
N-[2-(cyclohexen-1-yl)ethyl]-1-[[(3R)-piperidin-3-yl]methyl]triazole-4-carboxamide
CID 95121995
1-[[(3S)-piperidin-3-yl]methyl]-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]triazole-4-carboxamide
CID 95222094
N-(3-phenylsulfanylpropyl)-1-[[(3S)-piperidin-3-yl]methyl]triazole-4-carboxamide
CID 99959733
1-(piperidin-3-ylmethyl)-N-(2-pyridin-3-ylethyl)triazole-4-carboxamide
CID 50973548

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-[[(3R)-piperidin-3-yl]methyl]triazole-4-carboxamide?
The IUPAC name of N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-[[(3R)-piperidin-3-yl]methyl]triazole-4-carboxamide (CID 95120626) is N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-[[(3R)-piperidin-3-yl]methyl]triazole-4-carboxamide.
What is the SMILES notation for N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-[[(3R)-piperidin-3-yl]methyl]triazole-4-carboxamide?
The canonical SMILES for N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-[[(3R)-piperidin-3-yl]methyl]triazole-4-carboxamide is O=C(NCc1cn2c(n1)SCC2)c1cn(C[C@@H]2CCCNC2)nn1.
What is the InChIKey of N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-[[(3R)-piperidin-3-yl]methyl]triazole-4-carboxamide?
The InChIKey is IILUPISXGNAXDL-LLVKDONJSA-N. The full InChI is InChI=1S/C15H21N7OS/c23-14(17-7-12-9-21-4-5-24-15(21)18-12)13-10-22(20-19-13)8-11-2-1-3-16-6-11/h9-11,16H,1-8H2,(H,17,23)/t11-/m1/s1.
What are the key properties of N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-[[(3R)-piperidin-3-yl]methyl]triazole-4-carboxamide?
N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-[[(3R)-piperidin-3-yl]methyl]triazole-4-carboxamide has a molecular weight of 347.45 g/mol, XLogP of 0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-[[(3R)-piperidin-3-yl]methyl]triazole-4-carboxamide is sourced from PubChem (CID 95120626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).