5-chloro-4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]thiadiazole

C13H14Cl2N4S — CID 36839861

IUPAC5-chloro-4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]thiadiazole
SMILESClc1cccc(N2CCN(Cc3nnsc3Cl)CC2)c1
InChIInChI=1S/C13H14Cl2N4S/c14-10-2-1-3-11(8-10)19-6-4-18(5-7-19)9-12-13(15)20-17-16-12/h1-3,8H,4-7,9H2
InChIKeyYEDKAUUXMKSJGZ-UHFFFAOYSA-N
MW329.26 g/mol
LogP3.17
Rot. Bonds3

About 5-chloro-4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]thiadiazole

5-chloro-4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]thiadiazole (PubChem CID 36839861) has the molecular formula C13H14Cl2N4S and a molecular weight of 329.26 g/mol. Its IUPAC name is 5-chloro-4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]thiadiazole.

Molecular Properties

Compound Name5-chloro-4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]thiadiazole
PubChem CID36839861
Molecular FormulaC13H14Cl2N4S
Molecular Weight329.26 g/mol
Exact Mass328.03
IUPAC Name5-chloro-4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]thiadiazole
SMILESClc1cccc(N2CCN(Cc3nnsc3Cl)CC2)c1
InChIInChI=1S/C13H14Cl2N4S/c14-10-2-1-3-11(8-10)19-6-4-18(5-7-19)9-12-13(15)20-17-16-12/h1-3,8H,4-7,9H2
InChIKeyYEDKAUUXMKSJGZ-UHFFFAOYSA-N
XLogP3.17
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.26
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-chloro-4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]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

5-chloro-4-[(4-phenylpiperazin-1-yl)methyl]thiadiazole
CID 39975318
2,3-bis[[4-(3-chlorophenyl)piperazin-1-yl]methyl]benzo[g]quinoxaline;hydrochloride
CID 70163649
5-chloro-4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]thiadiazole
CID 60671383
5-chloro-4-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]thiadiazole
CID 56820417
2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]pyrimidine
CID 171909306
1-(3-chlorophenyl)-4-[(4-fluorophenyl)methyl]piperazine
CID 763195
1-(3-chlorophenyl)-4-[(2-chloro-4-pyridinyl)methyl]piperazine
CID 62047060
4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]benzoic acid
CID 751483
2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole
CID 51108336
2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5-cyclopropyl-1,3,4-oxadiazole
CID 47520514
2-[4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]phenyl]acetic acid
CID 20991836
[5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-1,2-oxazol-3-yl]methanamine
CID 62424244

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]thiadiazole?
The IUPAC name of 5-chloro-4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]thiadiazole (CID 36839861) is 5-chloro-4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]thiadiazole.
What is the SMILES notation for 5-chloro-4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]thiadiazole?
The canonical SMILES for 5-chloro-4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]thiadiazole is Clc1cccc(N2CCN(Cc3nnsc3Cl)CC2)c1.
What is the InChIKey of 5-chloro-4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]thiadiazole?
The InChIKey is YEDKAUUXMKSJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N4S/c14-10-2-1-3-11(8-10)19-6-4-18(5-7-19)9-12-13(15)20-17-16-12/h1-3,8H,4-7,9H2.
What are the key properties of 5-chloro-4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]thiadiazole?
5-chloro-4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]thiadiazole has a molecular weight of 329.26 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]thiadiazole is sourced from PubChem (CID 36839861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).