[4-(4-bromophenyl)thiadiazol-5-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone

C19H16BrClN4OS — CID 100751140

IUPAC[4-(4-bromophenyl)thiadiazol-5-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1snnc1-c1ccc(Br)cc1)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C19H16BrClN4OS/c20-14-6-4-13(5-7-14)17-18(27-23-22-17)19(26)25-10-8-24(9-11-25)16-3-1-2-15(21)12-16/h1-7,12H,8-11H2
InChIKeyMGJNZOQCXPDZFE-UHFFFAOYSA-N
MW463.79 g/mol
LogP4.58
Rot. Bonds3

About [4-(4-bromophenyl)thiadiazol-5-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone

[4-(4-bromophenyl)thiadiazol-5-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone (PubChem CID 100751140) has the molecular formula C19H16BrClN4OS and a molecular weight of 463.79 g/mol. Its IUPAC name is [4-(4-bromophenyl)thiadiazol-5-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-(4-bromophenyl)thiadiazol-5-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
PubChem CID100751140
Molecular FormulaC19H16BrClN4OS
Molecular Weight463.79 g/mol
Exact Mass461.99
IUPAC Name[4-(4-bromophenyl)thiadiazol-5-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1snnc1-c1ccc(Br)cc1)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C19H16BrClN4OS/c20-14-6-4-13(5-7-14)17-18(27-23-22-17)19(26)25-10-8-24(9-11-25)16-3-1-2-15(21)12-16/h1-7,12H,8-11H2
InChIKeyMGJNZOQCXPDZFE-UHFFFAOYSA-N
XLogP4.58
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.79
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(4-bromophenyl)thiadiazol-5-yl]-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methanone
CID 100751150
[4-(4-bromophenyl)thiadiazol-5-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 100751410
[4-(4-bromophenyl)thiadiazol-5-yl]-piperidin-1-ylmethanone
CID 100751028
(4-bromophenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 1069932
[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 26721708
[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 1069884
(4-benzylpiperazin-1-yl)-(4-phenylthiadiazol-5-yl)methanone
CID 100745674
(4-ethylthiadiazol-5-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 30543853
[4-(3-chlorophenyl)piperazin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
CID 109111774
5-[[4-(3-chlorophenyl)piperazine-1-carbonyl]amino]thiadiazole-4-carboxylic acid
CID 6917313
4-(3-chlorophenyl)-N-[4-(morpholine-4-carbonyl)thiadiazol-5-yl]piperazine-1-carboxamide
CID 20932522
[4-(3-chlorophenyl)piperazin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 63038242

Frequently Asked Questions

What is the IUPAC name of [4-(4-bromophenyl)thiadiazol-5-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone?
The IUPAC name of [4-(4-bromophenyl)thiadiazol-5-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone (CID 100751140) is [4-(4-bromophenyl)thiadiazol-5-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [4-(4-bromophenyl)thiadiazol-5-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for [4-(4-bromophenyl)thiadiazol-5-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone is O=C(c1snnc1-c1ccc(Br)cc1)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of [4-(4-bromophenyl)thiadiazol-5-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone?
The InChIKey is MGJNZOQCXPDZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrClN4OS/c20-14-6-4-13(5-7-14)17-18(27-23-22-17)19(26)25-10-8-24(9-11-25)16-3-1-2-15(21)12-16/h1-7,12H,8-11H2.
What are the key properties of [4-(4-bromophenyl)thiadiazol-5-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone?
[4-(4-bromophenyl)thiadiazol-5-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone has a molecular weight of 463.79 g/mol, XLogP of 4.58, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-bromophenyl)thiadiazol-5-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 100751140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).