3-(2-methyl-4-pyridinyl)-5-[4-(2-phenylethyl)piperazin-1-yl]-1,2,4-thiadiazole

C20H23N5S — CID 71187229

IUPAC3-(2-methyl-4-pyridinyl)-5-[4-(2-phenylethyl)piperazin-1-yl]-1,2,4-thiadiazole
SMILESCc1cc(-c2nsc(N3CCN(CCc4ccccc4)CC3)n2)ccn1
InChIInChI=1S/C20H23N5S/c1-16-15-18(7-9-21-16)19-22-20(26-23-19)25-13-11-24(12-14-25)10-8-17-5-3-2-4-6-17/h2-7,9,15H,8,10-14H2,1H3
InChIKeyPVAKEJAPYADUTP-UHFFFAOYSA-N
MW365.51 g/mol
LogP3.27
Rot. Bonds5

About 3-(2-methyl-4-pyridinyl)-5-[4-(2-phenylethyl)piperazin-1-yl]-1,2,4-thiadiazole

3-(2-methyl-4-pyridinyl)-5-[4-(2-phenylethyl)piperazin-1-yl]-1,2,4-thiadiazole (PubChem CID 71187229) has the molecular formula C20H23N5S and a molecular weight of 365.51 g/mol. Its IUPAC name is 3-(2-methyl-4-pyridinyl)-5-[4-(2-phenylethyl)piperazin-1-yl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-(2-methyl-4-pyridinyl)-5-[4-(2-phenylethyl)piperazin-1-yl]-1,2,4-thiadiazole
PubChem CID71187229
Molecular FormulaC20H23N5S
Molecular Weight365.51 g/mol
Exact Mass365.17
IUPAC Name3-(2-methyl-4-pyridinyl)-5-[4-(2-phenylethyl)piperazin-1-yl]-1,2,4-thiadiazole
SMILESCc1cc(-c2nsc(N3CCN(CCc4ccccc4)CC3)n2)ccn1
InChIInChI=1S/C20H23N5S/c1-16-15-18(7-9-21-16)19-22-20(26-23-19)25-13-11-24(12-14-25)10-8-17-5-3-2-4-6-17/h2-7,9,15H,8,10-14H2,1H3
InChIKeyPVAKEJAPYADUTP-UHFFFAOYSA-N
XLogP3.27
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.51
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-methylphenyl)-5-[4-(2-phenylethyl)piperazin-1-yl]-1,2,4-thiadiazole
CID 71204247
3-(3-fluorophenyl)-5-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]-1,2,4-thiadiazole
CID 71186510
5-[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-3-(4-chloro-2-pyridinyl)-1,2,4-thiadiazole
CID 71186524
2-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanol
CID 102284424
2-methyl-4-[4-(2-phenylethyl)piperazin-1-yl]pyrimidine
CID 171335725
2-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanesulfonamide
CID 133484684
3-[5-[4-[2-(6-methoxy-3-pyridinyl)ethyl]piperazin-1-yl]-1,2,4-thiadiazol-3-yl]benzonitrile;4-[5-[4-[2-(6-methoxy-3-pyridinyl)ethyl]piperazin-1-yl]-1,2,4-thiadiazol-3-yl]benzonitrile
CID 160956934
5-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]-3-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-thiadiazole
CID 71186255
4-[5-[4-[2-(3,4-difluorophenyl)ethyl]piperazin-1-yl]-1,2,4-thiadiazol-3-yl]benzonitrile
CID 71186399
1-(6-methyl-2-pyridinyl)-4-(2-phenylethyl)piperazine
CID 133313558
5-(4-ethylpiperazin-1-yl)-3-(2-methylpyrimidin-5-yl)-1,2,4-thiadiazole
CID 174704972
4-methoxy-2-[4-(2-phenylethyl)piperazin-1-yl]pyrimidine
CID 154829857

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-4-pyridinyl)-5-[4-(2-phenylethyl)piperazin-1-yl]-1,2,4-thiadiazole?
The IUPAC name of 3-(2-methyl-4-pyridinyl)-5-[4-(2-phenylethyl)piperazin-1-yl]-1,2,4-thiadiazole (CID 71187229) is 3-(2-methyl-4-pyridinyl)-5-[4-(2-phenylethyl)piperazin-1-yl]-1,2,4-thiadiazole.
What is the SMILES notation for 3-(2-methyl-4-pyridinyl)-5-[4-(2-phenylethyl)piperazin-1-yl]-1,2,4-thiadiazole?
The canonical SMILES for 3-(2-methyl-4-pyridinyl)-5-[4-(2-phenylethyl)piperazin-1-yl]-1,2,4-thiadiazole is Cc1cc(-c2nsc(N3CCN(CCc4ccccc4)CC3)n2)ccn1.
What is the InChIKey of 3-(2-methyl-4-pyridinyl)-5-[4-(2-phenylethyl)piperazin-1-yl]-1,2,4-thiadiazole?
The InChIKey is PVAKEJAPYADUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5S/c1-16-15-18(7-9-21-16)19-22-20(26-23-19)25-13-11-24(12-14-25)10-8-17-5-3-2-4-6-17/h2-7,9,15H,8,10-14H2,1H3.
What are the key properties of 3-(2-methyl-4-pyridinyl)-5-[4-(2-phenylethyl)piperazin-1-yl]-1,2,4-thiadiazole?
3-(2-methyl-4-pyridinyl)-5-[4-(2-phenylethyl)piperazin-1-yl]-1,2,4-thiadiazole has a molecular weight of 365.51 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-4-pyridinyl)-5-[4-(2-phenylethyl)piperazin-1-yl]-1,2,4-thiadiazole is sourced from PubChem (CID 71187229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).