2-(4-phenylpiperazin-1-yl)-5-(pyridin-2-ylmethylsulfanyl)-1,3,4-thiadiazole

C18H19N5S2 — CID 30863343

IUPAC2-(4-phenylpiperazin-1-yl)-5-(pyridin-2-ylmethylsulfanyl)-1,3,4-thiadiazole
SMILESc1ccc(N2CCN(c3nnc(SCc4ccccn4)s3)CC2)cc1
InChIInChI=1S/C18H19N5S2/c1-2-7-16(8-3-1)22-10-12-23(13-11-22)17-20-21-18(25-17)24-14-15-6-4-5-9-19-15/h1-9H,10-14H2
InChIKeyPGPCDHVQWWZJJX-UHFFFAOYSA-N
MW369.52 g/mol
LogP3.55
Rot. Bonds5

About 2-(4-phenylpiperazin-1-yl)-5-(pyridin-2-ylmethylsulfanyl)-1,3,4-thiadiazole

2-(4-phenylpiperazin-1-yl)-5-(pyridin-2-ylmethylsulfanyl)-1,3,4-thiadiazole (PubChem CID 30863343) has the molecular formula C18H19N5S2 and a molecular weight of 369.52 g/mol. Its IUPAC name is 2-(4-phenylpiperazin-1-yl)-5-(pyridin-2-ylmethylsulfanyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(4-phenylpiperazin-1-yl)-5-(pyridin-2-ylmethylsulfanyl)-1,3,4-thiadiazole
PubChem CID30863343
Molecular FormulaC18H19N5S2
Molecular Weight369.52 g/mol
Exact Mass369.11
IUPAC Name2-(4-phenylpiperazin-1-yl)-5-(pyridin-2-ylmethylsulfanyl)-1,3,4-thiadiazole
SMILESc1ccc(N2CCN(c3nnc(SCc4ccccn4)s3)CC2)cc1
InChIInChI=1S/C18H19N5S2/c1-2-7-16(8-3-1)22-10-12-23(13-11-22)17-20-21-18(25-17)24-14-15-6-4-5-9-19-15/h1-9H,10-14H2
InChIKeyPGPCDHVQWWZJJX-UHFFFAOYSA-N
XLogP3.55
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.52
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylpiperazin-1-yl)-5-(pyridin-2-ylmethylsulfanyl)-1,3,4-thiadiazole?
The IUPAC name of 2-(4-phenylpiperazin-1-yl)-5-(pyridin-2-ylmethylsulfanyl)-1,3,4-thiadiazole (CID 30863343) is 2-(4-phenylpiperazin-1-yl)-5-(pyridin-2-ylmethylsulfanyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-(4-phenylpiperazin-1-yl)-5-(pyridin-2-ylmethylsulfanyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-(4-phenylpiperazin-1-yl)-5-(pyridin-2-ylmethylsulfanyl)-1,3,4-thiadiazole is c1ccc(N2CCN(c3nnc(SCc4ccccn4)s3)CC2)cc1.
What is the InChIKey of 2-(4-phenylpiperazin-1-yl)-5-(pyridin-2-ylmethylsulfanyl)-1,3,4-thiadiazole?
The InChIKey is PGPCDHVQWWZJJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5S2/c1-2-7-16(8-3-1)22-10-12-23(13-11-22)17-20-21-18(25-17)24-14-15-6-4-5-9-19-15/h1-9H,10-14H2.
What are the key properties of 2-(4-phenylpiperazin-1-yl)-5-(pyridin-2-ylmethylsulfanyl)-1,3,4-thiadiazole?
2-(4-phenylpiperazin-1-yl)-5-(pyridin-2-ylmethylsulfanyl)-1,3,4-thiadiazole has a molecular weight of 369.52 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylpiperazin-1-yl)-5-(pyridin-2-ylmethylsulfanyl)-1,3,4-thiadiazole is sourced from PubChem (CID 30863343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).