[4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)piperidin-1-yl]-phenylmethanone

C16H17N5OS — CID 110405244

IUPAC[4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)piperidin-1-yl]-phenylmethanone
SMILESCc1nnc2sc(C3CCN(C(=O)c4ccccc4)CC3)nn12
InChIInChI=1S/C16H17N5OS/c1-11-17-18-16-21(11)19-14(23-16)12-7-9-20(10-8-12)15(22)13-5-3-2-4-6-13/h2-6,12H,7-10H2,1H3
InChIKeyQOMATJOFOBTLCA-UHFFFAOYSA-N
MW327.41 g/mol
LogP2.51
Rot. Bonds2

About [4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)piperidin-1-yl]-phenylmethanone

[4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)piperidin-1-yl]-phenylmethanone (PubChem CID 110405244) has the molecular formula C16H17N5OS and a molecular weight of 327.41 g/mol. Its IUPAC name is [4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)piperidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)piperidin-1-yl]-phenylmethanone
PubChem CID110405244
Molecular FormulaC16H17N5OS
Molecular Weight327.41 g/mol
Exact Mass327.12
IUPAC Name[4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)piperidin-1-yl]-phenylmethanone
SMILESCc1nnc2sc(C3CCN(C(=O)c4ccccc4)CC3)nn12
InChIInChI=1S/C16H17N5OS/c1-11-17-18-16-21(11)19-14(23-16)12-7-9-20(10-8-12)15(22)13-5-3-2-4-6-13/h2-6,12H,7-10H2,1H3
InChIKeyQOMATJOFOBTLCA-UHFFFAOYSA-N
XLogP2.51
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)piperidin-1-yl]-phenylmethanone 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

(3,4-dichlorophenyl)-[4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)piperidin-1-yl]methanone
CID 110405257
(2-methoxyphenyl)-[4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)piperidin-1-yl]methanone
CID 110405253
1-[4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)piperidin-1-yl]propan-1-one
CID 110405231
2-(4-fluorophenyl)-1-[4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)piperidin-1-yl]ethanone
CID 110405265
3-methyl-6-[1-(2-methylphenyl)sulfonylpiperidin-4-yl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 110405335
3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclopentane-1-carboxylic acid
CID 103551589
6-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]-3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 110405331
[(3S)-3-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-phenylmethanone
CID 30863910
1-benzoyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 17018978
[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-thiophen-3-ylmethanone
CID 71780427
N-[3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclohexyl]acetamide
CID 24870599
(4-methylsulfanylpiperidin-1-yl)-phenylmethanone
CID 58285191

Frequently Asked Questions

What is the IUPAC name of [4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)piperidin-1-yl]-phenylmethanone?
The IUPAC name of [4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)piperidin-1-yl]-phenylmethanone (CID 110405244) is [4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)piperidin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)piperidin-1-yl]-phenylmethanone?
The canonical SMILES for [4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)piperidin-1-yl]-phenylmethanone is Cc1nnc2sc(C3CCN(C(=O)c4ccccc4)CC3)nn12.
What is the InChIKey of [4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)piperidin-1-yl]-phenylmethanone?
The InChIKey is QOMATJOFOBTLCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5OS/c1-11-17-18-16-21(11)19-14(23-16)12-7-9-20(10-8-12)15(22)13-5-3-2-4-6-13/h2-6,12H,7-10H2,1H3.
What are the key properties of [4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)piperidin-1-yl]-phenylmethanone?
[4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)piperidin-1-yl]-phenylmethanone has a molecular weight of 327.41 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)piperidin-1-yl]-phenylmethanone is sourced from PubChem (CID 110405244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).