2-methyl-5-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]-1,3,4-thiadiazole

C13H23N5S — CID 126892292

IUPAC2-methyl-5-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]-1,3,4-thiadiazole
SMILESCc1nnc(N2CC(N3CCN(C(C)C)CC3)C2)s1
InChIInChI=1S/C13H23N5S/c1-10(2)16-4-6-17(7-5-16)12-8-18(9-12)13-15-14-11(3)19-13/h10,12H,4-9H2,1-3H3
InChIKeyXQKWBKZDBRYWKU-UHFFFAOYSA-N
MW281.43 g/mol
LogP1.06
Rot. Bonds3

About 2-methyl-5-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]-1,3,4-thiadiazole

2-methyl-5-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]-1,3,4-thiadiazole (PubChem CID 126892292) has the molecular formula C13H23N5S and a molecular weight of 281.43 g/mol. Its IUPAC name is 2-methyl-5-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-methyl-5-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]-1,3,4-thiadiazole
PubChem CID126892292
Molecular FormulaC13H23N5S
Molecular Weight281.43 g/mol
Exact Mass281.17
IUPAC Name2-methyl-5-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]-1,3,4-thiadiazole
SMILESCc1nnc(N2CC(N3CCN(C(C)C)CC3)C2)s1
InChIInChI=1S/C13H23N5S/c1-10(2)16-4-6-17(7-5-16)12-8-18(9-12)13-15-14-11(3)19-13/h10,12H,4-9H2,1-3H3
InChIKeyXQKWBKZDBRYWKU-UHFFFAOYSA-N
XLogP1.06
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.43
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-methyl-5-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]-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

Piperazine, 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methyl-
CID 3044804
N,5-dimethyl-N-[[(2R)-1-methylpiperidin-2-yl]methyl]-1,3,4-thiadiazol-2-amine
CID 125527689
N,N,N'-trimethyl-N'-[1-(5-propyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]ethane-1,2-diamine
CID 129607983
4-(5-Isopropyl-1,3,4-thiadiazol-2-YL)-1,2,2-trimethylpiperazine
CID 129616924
1-(Propan-2-yl)-4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazine
CID 59332252
2-(4-(2-Fluoroethyl)piperazin-1-yl)-5-methyl-1,3,4-thiadiazole
CID 121020691
2-Methyl-5-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,4-thiadiazole
CID 133431567
2-[3-Methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-5-propyl-1,3,4-thiadiazole
CID 133431666
1-Methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazine
CID 58668540
2-(4-Methylpiperazin-1-yl)-5-propan-2-yl-1,3,4-thiadiazole
CID 133365804
2-(3-Methyl-4-propan-2-ylpiperazin-1-yl)-5-propan-2-yl-1,3,4-thiadiazole
CID 166030514
2-Propan-2-yl-5-(4-propan-2-ylpiperazin-1-yl)-1,3,4-thiadiazole
CID 166030528

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]-1,3,4-thiadiazole?
The IUPAC name of 2-methyl-5-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]-1,3,4-thiadiazole (CID 126892292) is 2-methyl-5-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-methyl-5-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]-1,3,4-thiadiazole?
The canonical SMILES for 2-methyl-5-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]-1,3,4-thiadiazole is Cc1nnc(N2CC(N3CCN(C(C)C)CC3)C2)s1.
What is the InChIKey of 2-methyl-5-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]-1,3,4-thiadiazole?
The InChIKey is XQKWBKZDBRYWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5S/c1-10(2)16-4-6-17(7-5-16)12-8-18(9-12)13-15-14-11(3)19-13/h10,12H,4-9H2,1-3H3.
What are the key properties of 2-methyl-5-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]-1,3,4-thiadiazole?
2-methyl-5-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]-1,3,4-thiadiazole has a molecular weight of 281.43 g/mol, XLogP of 1.06, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]-1,3,4-thiadiazole is sourced from PubChem (CID 126892292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).