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

C15H20N4OS — CID 53324466

IUPAC2-(4-ethylpiperazin-1-yl)-5-(4-methoxyphenyl)-1,3,4-thiadiazole
SMILESCCN1CCN(c2nnc(-c3ccc(OC)cc3)s2)CC1
InChIInChI=1S/C15H20N4OS/c1-3-18-8-10-19(11-9-18)15-17-16-14(21-15)12-4-6-13(20-2)7-5-12/h4-7H,3,8-11H2,1-2H3
InChIKeyVGMZCKLYZUNCTF-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.36
Rot. Bonds4

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

2-(4-ethylpiperazin-1-yl)-5-(4-methoxyphenyl)-1,3,4-thiadiazole (PubChem CID 53324466) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is 2-(4-ethylpiperazin-1-yl)-5-(4-methoxyphenyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(4-ethylpiperazin-1-yl)-5-(4-methoxyphenyl)-1,3,4-thiadiazole
PubChem CID53324466
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name2-(4-ethylpiperazin-1-yl)-5-(4-methoxyphenyl)-1,3,4-thiadiazole
SMILESCCN1CCN(c2nnc(-c3ccc(OC)cc3)s2)CC1
InChIInChI=1S/C15H20N4OS/c1-3-18-8-10-19(11-9-18)15-17-16-14(21-15)12-4-6-13(20-2)7-5-12/h4-7H,3,8-11H2,1-2H3
InChIKeyVGMZCKLYZUNCTF-UHFFFAOYSA-N
XLogP2.36
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-Methoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 692882
N-ethyl-5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 2174397
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-Cyclopentylpiperazin-1-yl)-5-(4-methoxyphenyl)-1,3,4-thiadiazole
CID 53325778
Pentanoic acid (2-methoxy-ethyl)-[5-(4-methoxy-phenyl)-[1,3,4]thiadiazol-2-yl]-amide
CID 650738
2-(3-Fluoro-5-methoxyphenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole
CID 53325777
5-(4-methoxyphenyl)-N-methyl-1,3,4-thiadiazol-2-amine
CID 1383759
N-[5-(4-Methoxy-phenyl)-[1,3,4]thiadiazol-2-yl]-N-methyl-butyramide
CID 655904

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperazin-1-yl)-5-(4-methoxyphenyl)-1,3,4-thiadiazole?
The IUPAC name of 2-(4-ethylpiperazin-1-yl)-5-(4-methoxyphenyl)-1,3,4-thiadiazole (CID 53324466) is 2-(4-ethylpiperazin-1-yl)-5-(4-methoxyphenyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-(4-ethylpiperazin-1-yl)-5-(4-methoxyphenyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-(4-ethylpiperazin-1-yl)-5-(4-methoxyphenyl)-1,3,4-thiadiazole is CCN1CCN(c2nnc(-c3ccc(OC)cc3)s2)CC1.
What is the InChIKey of 2-(4-ethylpiperazin-1-yl)-5-(4-methoxyphenyl)-1,3,4-thiadiazole?
The InChIKey is VGMZCKLYZUNCTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-3-18-8-10-19(11-9-18)15-17-16-14(21-15)12-4-6-13(20-2)7-5-12/h4-7H,3,8-11H2,1-2H3.
What are the key properties of 2-(4-ethylpiperazin-1-yl)-5-(4-methoxyphenyl)-1,3,4-thiadiazole?
2-(4-ethylpiperazin-1-yl)-5-(4-methoxyphenyl)-1,3,4-thiadiazole has a molecular weight of 304.42 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperazin-1-yl)-5-(4-methoxyphenyl)-1,3,4-thiadiazole is sourced from PubChem (CID 53324466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).