N-[1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]-1-methylpyrazole-3-carboxamide

C15H22N6O2S — CID 171993892

IUPACN-[1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]-1-methylpyrazole-3-carboxamide
SMILESCOCCc1nsc(N2CCC(NC(=O)c3ccn(C)n3)CC2)n1
InChIInChI=1S/C15H22N6O2S/c1-20-7-5-12(18-20)14(22)16-11-3-8-21(9-4-11)15-17-13(19-24-15)6-10-23-2/h5,7,11H,3-4,6,8-10H2,1-2H3,(H,16,22)
InChIKeyJJIIESYOOYMUTM-UHFFFAOYSA-N
MW350.45 g/mol
LogP0.86
Rot. Bonds6

About N-[1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]-1-methylpyrazole-3-carboxamide

N-[1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]-1-methylpyrazole-3-carboxamide (PubChem CID 171993892) has the molecular formula C15H22N6O2S and a molecular weight of 350.45 g/mol. Its IUPAC name is N-[1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]-1-methylpyrazole-3-carboxamide
PubChem CID171993892
Molecular FormulaC15H22N6O2S
Molecular Weight350.45 g/mol
Exact Mass350.15
IUPAC NameN-[1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]-1-methylpyrazole-3-carboxamide
SMILESCOCCc1nsc(N2CCC(NC(=O)c3ccn(C)n3)CC2)n1
InChIInChI=1S/C15H22N6O2S/c1-20-7-5-12(18-20)14(22)16-11-3-8-21(9-4-11)15-17-13(19-24-15)6-10-23-2/h5,7,11H,3-4,6,8-10H2,1-2H3,(H,16,22)
InChIKeyJJIIESYOOYMUTM-UHFFFAOYSA-N
XLogP0.86
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.45
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]-1-methylpyrazole-3-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-[1-(4-ethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide
CID 171997771
1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-ol
CID 165434371
N-[(3R)-1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]-1-propylcyclopropane-1-carboxamide
CID 154803149
N-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide
CID 171993467
N-[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide
CID 171993726
N-[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]-1-methylpyrazole-3-carboxamide
CID 171993681
N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide
CID 103118001
[1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-yl]-piperidin-1-ylmethanone
CID 172899870
1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]-N-methylazetidine-3-carboxamide
CID 171691207
2-[4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]phenol
CID 133352118
N-[1-(3,5-dichloro-2-pyridinyl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide
CID 171993626
1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]-N-methylpiperidine-3-carboxamide
CID 166605829

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-[1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]-1-methylpyrazole-3-carboxamide (CID 171993892) is N-[1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]-1-methylpyrazole-3-carboxamide is COCCc1nsc(N2CCC(NC(=O)c3ccn(C)n3)CC2)n1.
What is the InChIKey of N-[1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]-1-methylpyrazole-3-carboxamide?
The InChIKey is JJIIESYOOYMUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O2S/c1-20-7-5-12(18-20)14(22)16-11-3-8-21(9-4-11)15-17-13(19-24-15)6-10-23-2/h5,7,11H,3-4,6,8-10H2,1-2H3,(H,16,22).
What are the key properties of N-[1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]-1-methylpyrazole-3-carboxamide?
N-[1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]-1-methylpyrazole-3-carboxamide has a molecular weight of 350.45 g/mol, XLogP of 0.86, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 171993892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).