2-(2,5-dimethoxyphenyl)-5-(4-ethylpiperazin-1-yl)-1,3,4-thiadiazole

C16H22N4O2S — CID 118728531

IUPAC2-(2,5-dimethoxyphenyl)-5-(4-ethylpiperazin-1-yl)-1,3,4-thiadiazole
SMILESCCN1CCN(c2nnc(-c3cc(OC)ccc3OC)s2)CC1
InChIInChI=1S/C16H22N4O2S/c1-4-19-7-9-20(10-8-19)16-18-17-15(23-16)13-11-12(21-2)5-6-14(13)22-3/h5-6,11H,4,7-10H2,1-3H3
InChIKeyWABRALBSUULNJT-UHFFFAOYSA-N
MW334.44 g/mol
LogP2.36
Rot. Bonds5

About 2-(2,5-dimethoxyphenyl)-5-(4-ethylpiperazin-1-yl)-1,3,4-thiadiazole

2-(2,5-dimethoxyphenyl)-5-(4-ethylpiperazin-1-yl)-1,3,4-thiadiazole (PubChem CID 118728531) has the molecular formula C16H22N4O2S and a molecular weight of 334.44 g/mol. Its IUPAC name is 2-(2,5-dimethoxyphenyl)-5-(4-ethylpiperazin-1-yl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(2,5-dimethoxyphenyl)-5-(4-ethylpiperazin-1-yl)-1,3,4-thiadiazole
PubChem CID118728531
Molecular FormulaC16H22N4O2S
Molecular Weight334.44 g/mol
Exact Mass334.15
IUPAC Name2-(2,5-dimethoxyphenyl)-5-(4-ethylpiperazin-1-yl)-1,3,4-thiadiazole
SMILESCCN1CCN(c2nnc(-c3cc(OC)ccc3OC)s2)CC1
InChIInChI=1S/C16H22N4O2S/c1-4-19-7-9-20(10-8-19)16-18-17-15(23-16)13-11-12(21-2)5-6-14(13)22-3/h5-6,11H,4,7-10H2,1-3H3
InChIKeyWABRALBSUULNJT-UHFFFAOYSA-N
XLogP2.36
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-(2,5-dimethoxyphenyl)-5-(4-ethylpiperazin-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

2-(4-Methoxyphenyl)-5-(4-(pyrrolidin-1-yl)piperidin-1-yl)-1,3,4-thiadiazole
CID 45377353
2-(1,4''-Bipiperidin-1''-yl)-5-(4-methoxyphenyl)-1,3,4-thiadiazole
CID 53317859
2-(1,4''-Bipiperidin-1''-yl)-5-(3-methoxyphenyl)-1,3,4-thiadiazole
CID 53318961
2-(hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl)-5-(4-methoxyphenyl)-1,3,4-thiadiazole
CID 53320490
2-(1,4''-Bipiperidin-1''-yl)-5-(2-methoxyphenyl)-1,3,4-thiadiazole
CID 53323112
2-(4-Ethylpiperazin-1-yl)-5-(4-methoxyphenyl)-1,3,4-thiadiazole
CID 53324466
2-(4-Cyclopentylpiperazin-1-yl)-5-(4-methoxyphenyl)-1,3,4-thiadiazole
CID 53325778
3-Methoxy-4-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]benzonitrile
CID 90282488
2-(3,5-Dimethoxyphenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole
CID 53320489
2-(3-Fluoro-5-methoxyphenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole
CID 53325777
5-(2,5-Dimethoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 2049330
1-[5-(2,5-Dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]piperidin-3-ol
CID 118728533

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxyphenyl)-5-(4-ethylpiperazin-1-yl)-1,3,4-thiadiazole?
The IUPAC name of 2-(2,5-dimethoxyphenyl)-5-(4-ethylpiperazin-1-yl)-1,3,4-thiadiazole (CID 118728531) is 2-(2,5-dimethoxyphenyl)-5-(4-ethylpiperazin-1-yl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-(2,5-dimethoxyphenyl)-5-(4-ethylpiperazin-1-yl)-1,3,4-thiadiazole?
The canonical SMILES for 2-(2,5-dimethoxyphenyl)-5-(4-ethylpiperazin-1-yl)-1,3,4-thiadiazole is CCN1CCN(c2nnc(-c3cc(OC)ccc3OC)s2)CC1.
What is the InChIKey of 2-(2,5-dimethoxyphenyl)-5-(4-ethylpiperazin-1-yl)-1,3,4-thiadiazole?
The InChIKey is WABRALBSUULNJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2S/c1-4-19-7-9-20(10-8-19)16-18-17-15(23-16)13-11-12(21-2)5-6-14(13)22-3/h5-6,11H,4,7-10H2,1-3H3.
What are the key properties of 2-(2,5-dimethoxyphenyl)-5-(4-ethylpiperazin-1-yl)-1,3,4-thiadiazole?
2-(2,5-dimethoxyphenyl)-5-(4-ethylpiperazin-1-yl)-1,3,4-thiadiazole has a molecular weight of 334.44 g/mol, XLogP of 2.36, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxyphenyl)-5-(4-ethylpiperazin-1-yl)-1,3,4-thiadiazole is sourced from PubChem (CID 118728531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).