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

C14H18N4O2S — CID 118728538

IUPAC2-(2,5-dimethoxyphenyl)-5-piperazin-1-yl-1,3,4-thiadiazole
SMILESCOc1ccc(OC)c(-c2nnc(N3CCNCC3)s2)c1
InChIInChI=1S/C14H18N4O2S/c1-19-10-3-4-12(20-2)11(9-10)13-16-17-14(21-13)18-7-5-15-6-8-18/h3-4,9,15H,5-8H2,1-2H3
InChIKeyOIBSDKRAYFYJIF-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.63
Rot. Bonds4

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

2-(2,5-dimethoxyphenyl)-5-piperazin-1-yl-1,3,4-thiadiazole (PubChem CID 118728538) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is 2-(2,5-dimethoxyphenyl)-5-piperazin-1-yl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(2,5-dimethoxyphenyl)-5-piperazin-1-yl-1,3,4-thiadiazole
PubChem CID118728538
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name2-(2,5-dimethoxyphenyl)-5-piperazin-1-yl-1,3,4-thiadiazole
SMILESCOc1ccc(OC)c(-c2nnc(N3CCNCC3)s2)c1
InChIInChI=1S/C14H18N4O2S/c1-19-10-3-4-12(20-2)11(9-10)13-16-17-14(21-13)18-7-5-15-6-8-18/h3-4,9,15H,5-8H2,1-2H3
InChIKeyOIBSDKRAYFYJIF-UHFFFAOYSA-N
XLogP1.63
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxyphenyl)-5-piperazin-1-yl-1,3,4-thiadiazole?
The IUPAC name of 2-(2,5-dimethoxyphenyl)-5-piperazin-1-yl-1,3,4-thiadiazole (CID 118728538) is 2-(2,5-dimethoxyphenyl)-5-piperazin-1-yl-1,3,4-thiadiazole.
What is the SMILES notation for 2-(2,5-dimethoxyphenyl)-5-piperazin-1-yl-1,3,4-thiadiazole?
The canonical SMILES for 2-(2,5-dimethoxyphenyl)-5-piperazin-1-yl-1,3,4-thiadiazole is COc1ccc(OC)c(-c2nnc(N3CCNCC3)s2)c1.
What is the InChIKey of 2-(2,5-dimethoxyphenyl)-5-piperazin-1-yl-1,3,4-thiadiazole?
The InChIKey is OIBSDKRAYFYJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-19-10-3-4-12(20-2)11(9-10)13-16-17-14(21-13)18-7-5-15-6-8-18/h3-4,9,15H,5-8H2,1-2H3.
What are the key properties of 2-(2,5-dimethoxyphenyl)-5-piperazin-1-yl-1,3,4-thiadiazole?
2-(2,5-dimethoxyphenyl)-5-piperazin-1-yl-1,3,4-thiadiazole has a molecular weight of 306.39 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxyphenyl)-5-piperazin-1-yl-1,3,4-thiadiazole is sourced from PubChem (CID 118728538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).