3-methyl-5-(4-piperidin-1-ylpiperidin-1-yl)-2-[1-(1,3-thiazol-2-yl)piperidin-3-yl]-2H-1,3,4-thiadiazole

C21H34N6S2 — CID 143978128

IUPAC3-methyl-5-(4-piperidin-1-ylpiperidin-1-yl)-2-[1-(1,3-thiazol-2-yl)piperidin-3-yl]-2H-1,3,4-thiadiazole
SMILESCN1N=C(N2CCC(N3CCCCC3)CC2)SC1C1CCCN(c2nccs2)C1
InChIInChI=1S/C21H34N6S2/c1-24-19(17-6-5-12-27(16-17)20-22-9-15-28-20)29-21(23-24)26-13-7-18(8-14-26)25-10-3-2-4-11-25/h9,15,17-19H,2-8,10-14,16H2,1H3
InChIKeyAPKHVSVLFIHUQU-UHFFFAOYSA-N
MW434.68 g/mol
LogP3.59
Rot. Bonds3

About 3-methyl-5-(4-piperidin-1-ylpiperidin-1-yl)-2-[1-(1,3-thiazol-2-yl)piperidin-3-yl]-2H-1,3,4-thiadiazole

3-methyl-5-(4-piperidin-1-ylpiperidin-1-yl)-2-[1-(1,3-thiazol-2-yl)piperidin-3-yl]-2H-1,3,4-thiadiazole (PubChem CID 143978128) has the molecular formula C21H34N6S2 and a molecular weight of 434.68 g/mol. Its IUPAC name is 3-methyl-5-(4-piperidin-1-ylpiperidin-1-yl)-2-[1-(1,3-thiazol-2-yl)piperidin-3-yl]-2H-1,3,4-thiadiazole.

Molecular Properties

Compound Name3-methyl-5-(4-piperidin-1-ylpiperidin-1-yl)-2-[1-(1,3-thiazol-2-yl)piperidin-3-yl]-2H-1,3,4-thiadiazole
PubChem CID143978128
Molecular FormulaC21H34N6S2
Molecular Weight434.68 g/mol
Exact Mass434.23
IUPAC Name3-methyl-5-(4-piperidin-1-ylpiperidin-1-yl)-2-[1-(1,3-thiazol-2-yl)piperidin-3-yl]-2H-1,3,4-thiadiazole
SMILESCN1N=C(N2CCC(N3CCCCC3)CC2)SC1C1CCCN(c2nccs2)C1
InChIInChI=1S/C21H34N6S2/c1-24-19(17-6-5-12-27(16-17)20-22-9-15-28-20)29-21(23-24)26-13-7-18(8-14-26)25-10-3-2-4-11-25/h9,15,17-19H,2-8,10-14,16H2,1H3
InChIKeyAPKHVSVLFIHUQU-UHFFFAOYSA-N
XLogP3.59
TPSA38.21 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.68
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-methyl-5-(4-piperidin-1-ylpiperidin-1-yl)-2-[1-(1,3-thiazol-2-yl)piperidin-3-yl]-2H-1,3,4-thiadiazole 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

2-(4-piperidin-1-ylpiperidin-1-yl)-1,3-thiazole
CID 172900709
(4-methylpiperazin-1-yl)-[1-[1-(1,3-thiazol-2-yl)piperidin-4-yl]piperidin-3-yl]methanone
CID 56863070
[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl N-ethenyl-4-piperidin-1-ylpiperidine-1-carboximidothioate
CID 91284408
ethane;2-pyrrolidin-1-yl-1,3-thiazole
CID 176952882
(3R)-1-(1,3-thiazol-2-yl)piperidine-3-carboxylic acid
CID 30072707
N,N-dimethyl-1-(1,3-thiazol-2-yl)pyrrolidin-3-amine
CID 130709244
2-[4-(oxan-4-yl)piperazin-1-yl]-1,3-thiazole
CID 75496874
4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]cyclohexan-1-amine
CID 62808150
2-[4-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-1,4-diazepan-1-yl]-1,3-thiazole
CID 167610027
2-methyl-4-(1,3-thiazol-2-yl)-1,4-oxazepane
CID 131132191
2-(3-phenylpiperidin-1-yl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole
CID 45377639
(3aR,7aS)-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxamide
CID 138045032

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(4-piperidin-1-ylpiperidin-1-yl)-2-[1-(1,3-thiazol-2-yl)piperidin-3-yl]-2H-1,3,4-thiadiazole?
The IUPAC name of 3-methyl-5-(4-piperidin-1-ylpiperidin-1-yl)-2-[1-(1,3-thiazol-2-yl)piperidin-3-yl]-2H-1,3,4-thiadiazole (CID 143978128) is 3-methyl-5-(4-piperidin-1-ylpiperidin-1-yl)-2-[1-(1,3-thiazol-2-yl)piperidin-3-yl]-2H-1,3,4-thiadiazole.
What is the SMILES notation for 3-methyl-5-(4-piperidin-1-ylpiperidin-1-yl)-2-[1-(1,3-thiazol-2-yl)piperidin-3-yl]-2H-1,3,4-thiadiazole?
The canonical SMILES for 3-methyl-5-(4-piperidin-1-ylpiperidin-1-yl)-2-[1-(1,3-thiazol-2-yl)piperidin-3-yl]-2H-1,3,4-thiadiazole is CN1N=C(N2CCC(N3CCCCC3)CC2)SC1C1CCCN(c2nccs2)C1.
What is the InChIKey of 3-methyl-5-(4-piperidin-1-ylpiperidin-1-yl)-2-[1-(1,3-thiazol-2-yl)piperidin-3-yl]-2H-1,3,4-thiadiazole?
The InChIKey is APKHVSVLFIHUQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N6S2/c1-24-19(17-6-5-12-27(16-17)20-22-9-15-28-20)29-21(23-24)26-13-7-18(8-14-26)25-10-3-2-4-11-25/h9,15,17-19H,2-8,10-14,16H2,1H3.
What are the key properties of 3-methyl-5-(4-piperidin-1-ylpiperidin-1-yl)-2-[1-(1,3-thiazol-2-yl)piperidin-3-yl]-2H-1,3,4-thiadiazole?
3-methyl-5-(4-piperidin-1-ylpiperidin-1-yl)-2-[1-(1,3-thiazol-2-yl)piperidin-3-yl]-2H-1,3,4-thiadiazole has a molecular weight of 434.68 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(4-piperidin-1-ylpiperidin-1-yl)-2-[1-(1,3-thiazol-2-yl)piperidin-3-yl]-2H-1,3,4-thiadiazole is sourced from PubChem (CID 143978128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).