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

C19H20N4S2 — CID 30863381

IUPAC2-benzylsulfanyl-5-(4-phenylpiperazin-1-yl)-1,3,4-thiadiazole
SMILESc1ccc(CSc2nnc(N3CCN(c4ccccc4)CC3)s2)cc1
InChIInChI=1S/C19H20N4S2/c1-3-7-16(8-4-1)15-24-19-21-20-18(25-19)23-13-11-22(12-14-23)17-9-5-2-6-10-17/h1-10H,11-15H2
InChIKeyGLBPVZVTZIKQKE-UHFFFAOYSA-N
MW368.53 g/mol
LogP4.16
Rot. Bonds5

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

2-benzylsulfanyl-5-(4-phenylpiperazin-1-yl)-1,3,4-thiadiazole (PubChem CID 30863381) has the molecular formula C19H20N4S2 and a molecular weight of 368.53 g/mol. Its IUPAC name is 2-benzylsulfanyl-5-(4-phenylpiperazin-1-yl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-benzylsulfanyl-5-(4-phenylpiperazin-1-yl)-1,3,4-thiadiazole
PubChem CID30863381
Molecular FormulaC19H20N4S2
Molecular Weight368.53 g/mol
Exact Mass368.11
IUPAC Name2-benzylsulfanyl-5-(4-phenylpiperazin-1-yl)-1,3,4-thiadiazole
SMILESc1ccc(CSc2nnc(N3CCN(c4ccccc4)CC3)s2)cc1
InChIInChI=1S/C19H20N4S2/c1-3-7-16(8-4-1)15-24-19-21-20-18(25-19)23-13-11-22(12-14-23)17-9-5-2-6-10-17/h1-10H,11-15H2
InChIKeyGLBPVZVTZIKQKE-UHFFFAOYSA-N
XLogP4.16
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.53
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-phenylpiperazin-1-yl)-5-(pyridin-2-ylmethylsulfanyl)-1,3,4-thiadiazole
CID 30863343
N,N-diethyl-2-[[5-(4-phenylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanamine
CID 30863378
2-[(3,5-dimethoxyphenyl)methylsulfanyl]-5-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,4-thiadiazole
CID 30863270
2-benzylsulfanyl-5-(2,5-dimethylpyrrol-1-yl)-1,3,4-thiadiazole
CID 134122259
N-(4-chlorophenyl)-2-[[5-(4-phenylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 30863368
ethyl (2R)-2-[[5-(4-phenylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoate
CID 30863385
2-[(4-methylphenyl)methylsulfanyl]-5-pyrrol-1-yl-1,3,4-thiadiazole
CID 2747618
4-[5-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-yl]morpholine
CID 60588645
2-[[5-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-phenylacetamide
CID 30865086
(2-benzylsulfanylphenyl)-(4-phenylpiperazin-1-yl)methanone
CID 2997168
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[5-(4-methylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone
CID 30862978
N-(2-methyl-1-phenylpropyl)-2-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 47945201

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-5-(4-phenylpiperazin-1-yl)-1,3,4-thiadiazole?
The IUPAC name of 2-benzylsulfanyl-5-(4-phenylpiperazin-1-yl)-1,3,4-thiadiazole (CID 30863381) is 2-benzylsulfanyl-5-(4-phenylpiperazin-1-yl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-benzylsulfanyl-5-(4-phenylpiperazin-1-yl)-1,3,4-thiadiazole?
The canonical SMILES for 2-benzylsulfanyl-5-(4-phenylpiperazin-1-yl)-1,3,4-thiadiazole is c1ccc(CSc2nnc(N3CCN(c4ccccc4)CC3)s2)cc1.
What is the InChIKey of 2-benzylsulfanyl-5-(4-phenylpiperazin-1-yl)-1,3,4-thiadiazole?
The InChIKey is GLBPVZVTZIKQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4S2/c1-3-7-16(8-4-1)15-24-19-21-20-18(25-19)23-13-11-22(12-14-23)17-9-5-2-6-10-17/h1-10H,11-15H2.
What are the key properties of 2-benzylsulfanyl-5-(4-phenylpiperazin-1-yl)-1,3,4-thiadiazole?
2-benzylsulfanyl-5-(4-phenylpiperazin-1-yl)-1,3,4-thiadiazole has a molecular weight of 368.53 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-5-(4-phenylpiperazin-1-yl)-1,3,4-thiadiazole is sourced from PubChem (CID 30863381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).