5-chloro-3-[(2-methoxyphenyl)methyl]-1,2,4-thiadiazole;3-[(2-methoxyphenyl)methyl]-5-piperazin-1-yl-1,2,4-thiadiazole;piperazine

C28H37ClN8O2S2 — CID 161081833

IUPAC5-chloro-3-[(2-methoxyphenyl)methyl]-1,2,4-thiadiazole;3-[(2-methoxyphenyl)methyl]-5-piperazin-1-yl-1,2,4-thiadiazole;piperazine
SMILESC1CNCCN1.COc1ccccc1Cc1nsc(Cl)n1.COc1ccccc1Cc1nsc(N2CCNCC2)n1
InChIInChI=1S/C14H18N4OS.C10H9ClN2OS.C4H10N2/c1-19-12-5-3-2-4-11(12)10-13-16-14(20-17-13)18-8-6-15-7-9-18;1-14-8-5-3-2-4-7(8)6-9-12-10(11)15-13-9;1-2-6-4-3-5-1/h2-5,15H,6-10H2,1H3;2-5H,6H2,1H3;5-6H,1-4H2
InChIKeyUGAABSAINIITTP-UHFFFAOYSA-N
MW617.25 g/mol
LogP3.52
Rot. Bonds7

About 5-chloro-3-[(2-methoxyphenyl)methyl]-1,2,4-thiadiazole;3-[(2-methoxyphenyl)methyl]-5-piperazin-1-yl-1,2,4-thiadiazole;piperazine

5-chloro-3-[(2-methoxyphenyl)methyl]-1,2,4-thiadiazole;3-[(2-methoxyphenyl)methyl]-5-piperazin-1-yl-1,2,4-thiadiazole;piperazine (PubChem CID 161081833) has the molecular formula C28H37ClN8O2S2 and a molecular weight of 617.25 g/mol. Its IUPAC name is 5-chloro-3-[(2-methoxyphenyl)methyl]-1,2,4-thiadiazole;3-[(2-methoxyphenyl)methyl]-5-piperazin-1-yl-1,2,4-thiadiazole;piperazine.

Molecular Properties

Compound Name5-chloro-3-[(2-methoxyphenyl)methyl]-1,2,4-thiadiazole;3-[(2-methoxyphenyl)methyl]-5-piperazin-1-yl-1,2,4-thiadiazole;piperazine
PubChem CID161081833
Molecular FormulaC28H37ClN8O2S2
Molecular Weight617.25 g/mol
Exact Mass616.22
IUPAC Name5-chloro-3-[(2-methoxyphenyl)methyl]-1,2,4-thiadiazole;3-[(2-methoxyphenyl)methyl]-5-piperazin-1-yl-1,2,4-thiadiazole;piperazine
SMILESC1CNCCN1.COc1ccccc1Cc1nsc(Cl)n1.COc1ccccc1Cc1nsc(N2CCNCC2)n1
InChIInChI=1S/C14H18N4OS.C10H9ClN2OS.C4H10N2/c1-19-12-5-3-2-4-11(12)10-13-16-14(20-17-13)18-8-6-15-7-9-18;1-14-8-5-3-2-4-7(8)6-9-12-10(11)15-13-9;1-2-6-4-3-5-1/h2-5,15H,6-10H2,1H3;2-5H,6H2,1H3;5-6H,1-4H2
InChIKeyUGAABSAINIITTP-UHFFFAOYSA-N
XLogP3.52
TPSA109.35 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.25
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze 5-chloro-3-[(2-methoxyphenyl)methyl]-1,2,4-thiadiazole;3-[(2-methoxyphenyl)methyl]-5-piperazin-1-yl-1,2,4-thiadiazole;piperazine 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-3-[(2-methylphenyl)methyl]-1,2,4-thiadiazole;3-[(2-methylphenyl)methyl]-5-piperazin-1-yl-1,2,4-thiadiazole;piperazine
CID 158059998
3-ethyl-5-piperazin-1-yl-1,2,4-thiadiazole
CID 53403990
3-[(4-fluorophenyl)methyl]-5-[4-(2-methoxyphenyl)piperazin-1-yl]-1,2,4-thiadiazole
CID 42776347
2-[(2-methoxyphenyl)methyl]-4-(piperazin-1-ylmethyl)-1,3-thiazole;dihydrochloride
CID 82018941
CID 172749453
CID 172749453
1-[2-(2-methoxyphenyl)ethyl]piperazine;dihydrochloride
CID 52983547
[4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 3281463
5-[4-(2-chlorophenyl)piperazin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole
CID 133352086
3-butyl-5-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]-1,2,4-thiadiazole;piperazine
CID 118976154
4-(3-benzyl-1,2,4-thiadiazol-5-yl)-N-(2-methoxyphenyl)piperazine-1-carboxamide
CID 3979772
5-chloro-2-[(2-methoxy-4-piperazin-1-ylphenyl)methyl]-N-phenylpyrimidin-4-amine
CID 177118014
5-chloro-3-[(3,4-dimethoxyphenyl)methyl]-1,2,4-thiadiazole
CID 46318449

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[(2-methoxyphenyl)methyl]-1,2,4-thiadiazole;3-[(2-methoxyphenyl)methyl]-5-piperazin-1-yl-1,2,4-thiadiazole;piperazine?
The IUPAC name of 5-chloro-3-[(2-methoxyphenyl)methyl]-1,2,4-thiadiazole;3-[(2-methoxyphenyl)methyl]-5-piperazin-1-yl-1,2,4-thiadiazole;piperazine (CID 161081833) is 5-chloro-3-[(2-methoxyphenyl)methyl]-1,2,4-thiadiazole;3-[(2-methoxyphenyl)methyl]-5-piperazin-1-yl-1,2,4-thiadiazole;piperazine.
What is the SMILES notation for 5-chloro-3-[(2-methoxyphenyl)methyl]-1,2,4-thiadiazole;3-[(2-methoxyphenyl)methyl]-5-piperazin-1-yl-1,2,4-thiadiazole;piperazine?
The canonical SMILES for 5-chloro-3-[(2-methoxyphenyl)methyl]-1,2,4-thiadiazole;3-[(2-methoxyphenyl)methyl]-5-piperazin-1-yl-1,2,4-thiadiazole;piperazine is C1CNCCN1.COc1ccccc1Cc1nsc(Cl)n1.COc1ccccc1Cc1nsc(N2CCNCC2)n1.
What is the InChIKey of 5-chloro-3-[(2-methoxyphenyl)methyl]-1,2,4-thiadiazole;3-[(2-methoxyphenyl)methyl]-5-piperazin-1-yl-1,2,4-thiadiazole;piperazine?
The InChIKey is UGAABSAINIITTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS.C10H9ClN2OS.C4H10N2/c1-19-12-5-3-2-4-11(12)10-13-16-14(20-17-13)18-8-6-15-7-9-18;1-14-8-5-3-2-4-7(8)6-9-12-10(11)15-13-9;1-2-6-4-3-5-1/h2-5,15H,6-10H2,1H3;2-5H,6H2,1H3;5-6H,1-4H2.
What are the key properties of 5-chloro-3-[(2-methoxyphenyl)methyl]-1,2,4-thiadiazole;3-[(2-methoxyphenyl)methyl]-5-piperazin-1-yl-1,2,4-thiadiazole;piperazine?
5-chloro-3-[(2-methoxyphenyl)methyl]-1,2,4-thiadiazole;3-[(2-methoxyphenyl)methyl]-5-piperazin-1-yl-1,2,4-thiadiazole;piperazine has a molecular weight of 617.25 g/mol, XLogP of 3.52, 7 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[(2-methoxyphenyl)methyl]-1,2,4-thiadiazole;3-[(2-methoxyphenyl)methyl]-5-piperazin-1-yl-1,2,4-thiadiazole;piperazine is sourced from PubChem (CID 161081833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).