[4-(4-bromophenyl)thiadiazol-5-yl]-pyrrolidin-1-ylmethanone

C13H12BrN3OS — CID 100751023

IUPAC[4-(4-bromophenyl)thiadiazol-5-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1snnc1-c1ccc(Br)cc1)N1CCCC1
InChIInChI=1S/C13H12BrN3OS/c14-10-5-3-9(4-6-10)11-12(19-16-15-11)13(18)17-7-1-2-8-17/h3-6H,1-2,7-8H2
InChIKeyYMXMRTKOJUSSEA-UHFFFAOYSA-N
MW338.23 g/mol
LogP3.20
Rot. Bonds2

About [4-(4-bromophenyl)thiadiazol-5-yl]-pyrrolidin-1-ylmethanone

[4-(4-bromophenyl)thiadiazol-5-yl]-pyrrolidin-1-ylmethanone (PubChem CID 100751023) has the molecular formula C13H12BrN3OS and a molecular weight of 338.23 g/mol. Its IUPAC name is [4-(4-bromophenyl)thiadiazol-5-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-(4-bromophenyl)thiadiazol-5-yl]-pyrrolidin-1-ylmethanone
PubChem CID100751023
Molecular FormulaC13H12BrN3OS
Molecular Weight338.23 g/mol
Exact Mass336.99
IUPAC Name[4-(4-bromophenyl)thiadiazol-5-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1snnc1-c1ccc(Br)cc1)N1CCCC1
InChIInChI=1S/C13H12BrN3OS/c14-10-5-3-9(4-6-10)11-12(19-16-15-11)13(18)17-7-1-2-8-17/h3-6H,1-2,7-8H2
InChIKeyYMXMRTKOJUSSEA-UHFFFAOYSA-N
XLogP3.20
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.23
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-(4-bromophenyl)thiadiazol-5-yl]-pyrrolidin-1-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(4-bromophenyl)thiadiazol-5-yl]-piperidin-1-ylmethanone
CID 100751028
[4-(4-bromophenyl)thiadiazol-5-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 100751140
[4-(4-bromophenyl)thiadiazol-5-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 100751410
[4-(4-bromophenyl)thiadiazol-5-yl]-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methanone
CID 100751150
1-[4-(4-chlorophenyl)thiadiazole-5-carbonyl]piperidine-4-carboxamide
CID 100748186
[4-(4-methoxyphenyl)thiadiazol-5-yl]-thiomorpholin-4-ylmethanone
CID 45492013
4-(4-bromophenyl)-N-ethylthiadiazole-5-carboxamide
CID 100750357
4-(4-bromophenyl)-N-butan-2-ylthiadiazole-5-carboxamide
CID 133200556
N-(4-acetamidophenyl)-4-(4-bromophenyl)thiadiazole-5-carboxamide
CID 100750993
(4-benzylpiperazin-1-yl)-(4-phenylthiadiazol-5-yl)methanone
CID 100745674
(4-aminothiadiazol-5-yl)-(azepan-1-yl)methanone
CID 117214630
4-(4-bromophenyl)-N-(4-carbamoylphenyl)thiadiazole-5-carboxamide
CID 100750972

Frequently Asked Questions

What is the IUPAC name of [4-(4-bromophenyl)thiadiazol-5-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-(4-bromophenyl)thiadiazol-5-yl]-pyrrolidin-1-ylmethanone (CID 100751023) is [4-(4-bromophenyl)thiadiazol-5-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-(4-bromophenyl)thiadiazol-5-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-(4-bromophenyl)thiadiazol-5-yl]-pyrrolidin-1-ylmethanone is O=C(c1snnc1-c1ccc(Br)cc1)N1CCCC1.
What is the InChIKey of [4-(4-bromophenyl)thiadiazol-5-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is YMXMRTKOJUSSEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3OS/c14-10-5-3-9(4-6-10)11-12(19-16-15-11)13(18)17-7-1-2-8-17/h3-6H,1-2,7-8H2.
What are the key properties of [4-(4-bromophenyl)thiadiazol-5-yl]-pyrrolidin-1-ylmethanone?
[4-(4-bromophenyl)thiadiazol-5-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 338.23 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-bromophenyl)thiadiazol-5-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 100751023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).