(4-benzylpiperazin-1-yl)-(4-phenylthiadiazol-5-yl)methanone

C20H20N4OS — CID 100745674

IUPAC(4-benzylpiperazin-1-yl)-(4-phenylthiadiazol-5-yl)methanone
SMILESO=C(c1snnc1-c1ccccc1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H20N4OS/c25-20(19-18(21-22-26-19)17-9-5-2-6-10-17)24-13-11-23(12-14-24)15-16-7-3-1-4-8-16/h1-10H,11-15H2
InChIKeyJJHZTKJZFNSTTN-UHFFFAOYSA-N
MW364.47 g/mol
LogP3.16
Rot. Bonds4

About (4-benzylpiperazin-1-yl)-(4-phenylthiadiazol-5-yl)methanone

(4-benzylpiperazin-1-yl)-(4-phenylthiadiazol-5-yl)methanone (PubChem CID 100745674) has the molecular formula C20H20N4OS and a molecular weight of 364.47 g/mol. Its IUPAC name is (4-benzylpiperazin-1-yl)-(4-phenylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Name(4-benzylpiperazin-1-yl)-(4-phenylthiadiazol-5-yl)methanone
PubChem CID100745674
Molecular FormulaC20H20N4OS
Molecular Weight364.47 g/mol
Exact Mass364.14
IUPAC Name(4-benzylpiperazin-1-yl)-(4-phenylthiadiazol-5-yl)methanone
SMILESO=C(c1snnc1-c1ccccc1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H20N4OS/c25-20(19-18(21-22-26-19)17-9-5-2-6-10-17)24-13-11-23(12-14-24)15-16-7-3-1-4-8-16/h1-10H,11-15H2
InChIKeyJJHZTKJZFNSTTN-UHFFFAOYSA-N
XLogP3.16
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-benzylpiperazin-1-yl)-(2-methyl-4-phenyl-1,3-thiazol-5-yl)methanone
CID 9071369
(4-benzyl-1,4-diazepan-1-yl)-(2-methyl-4-phenyl-1,3-thiazol-5-yl)methanone
CID 30545018
(4-benzylpiperazin-1-yl)-pyridin-4-ylmethanone;hydrochloride
CID 110755805
[4-(4-bromophenyl)thiadiazol-5-yl]-pyrrolidin-1-ylmethanone
CID 100751023
[4-(4-bromophenyl)thiadiazol-5-yl]-piperidin-1-ylmethanone
CID 100751028
4-[[4-(4-ethylthiadiazole-5-carbonyl)piperazin-1-yl]methyl]benzonitrile
CID 46636607
(3-phenylthiophen-2-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 134045017
(4-ethylthiadiazol-5-yl)-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]methanone
CID 43074850
[2-[2-(4-benzylpiperazine-1-carbonyl)phenyl]phenyl]-(4-benzylpiperazin-1-yl)methanone
CID 4035755
(4-benzylpiperazin-1-yl)-pyrimidin-5-ylmethanone
CID 110853065
1-(4-benzylpiperazin-1-yl)-2-chloroethanone;hydrochloride
CID 16806065
1,3-bis(4-benzylpiperazin-1-yl)propane-1,3-dione
CID 13023421

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperazin-1-yl)-(4-phenylthiadiazol-5-yl)methanone?
The IUPAC name of (4-benzylpiperazin-1-yl)-(4-phenylthiadiazol-5-yl)methanone (CID 100745674) is (4-benzylpiperazin-1-yl)-(4-phenylthiadiazol-5-yl)methanone.
What is the SMILES notation for (4-benzylpiperazin-1-yl)-(4-phenylthiadiazol-5-yl)methanone?
The canonical SMILES for (4-benzylpiperazin-1-yl)-(4-phenylthiadiazol-5-yl)methanone is O=C(c1snnc1-c1ccccc1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of (4-benzylpiperazin-1-yl)-(4-phenylthiadiazol-5-yl)methanone?
The InChIKey is JJHZTKJZFNSTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4OS/c25-20(19-18(21-22-26-19)17-9-5-2-6-10-17)24-13-11-23(12-14-24)15-16-7-3-1-4-8-16/h1-10H,11-15H2.
What are the key properties of (4-benzylpiperazin-1-yl)-(4-phenylthiadiazol-5-yl)methanone?
(4-benzylpiperazin-1-yl)-(4-phenylthiadiazol-5-yl)methanone has a molecular weight of 364.47 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperazin-1-yl)-(4-phenylthiadiazol-5-yl)methanone is sourced from PubChem (CID 100745674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).