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

C14H14BrN3OS — CID 100751028

IUPAC[4-(4-bromophenyl)thiadiazol-5-yl]-piperidin-1-ylmethanone
SMILESO=C(c1snnc1-c1ccc(Br)cc1)N1CCCCC1
InChIInChI=1S/C14H14BrN3OS/c15-11-6-4-10(5-7-11)12-13(20-17-16-12)14(19)18-8-2-1-3-9-18/h4-7H,1-3,8-9H2
InChIKeyDLQALZCQANDPPI-UHFFFAOYSA-N
MW352.26 g/mol
LogP3.59
Rot. Bonds2

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

[4-(4-bromophenyl)thiadiazol-5-yl]-piperidin-1-ylmethanone (PubChem CID 100751028) has the molecular formula C14H14BrN3OS and a molecular weight of 352.26 g/mol. Its IUPAC name is [4-(4-bromophenyl)thiadiazol-5-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[4-(4-bromophenyl)thiadiazol-5-yl]-piperidin-1-ylmethanone
PubChem CID100751028
Molecular FormulaC14H14BrN3OS
Molecular Weight352.26 g/mol
Exact Mass351.00
IUPAC Name[4-(4-bromophenyl)thiadiazol-5-yl]-piperidin-1-ylmethanone
SMILESO=C(c1snnc1-c1ccc(Br)cc1)N1CCCCC1
InChIInChI=1S/C14H14BrN3OS/c15-11-6-4-10(5-7-11)12-13(20-17-16-12)14(19)18-8-2-1-3-9-18/h4-7H,1-3,8-9H2
InChIKeyDLQALZCQANDPPI-UHFFFAOYSA-N
XLogP3.59
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.26
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-(4-bromophenyl)thiadiazol-5-yl]-piperidin-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

Frequently Asked Questions

What is the IUPAC name of [4-(4-bromophenyl)thiadiazol-5-yl]-piperidin-1-ylmethanone?
The IUPAC name of [4-(4-bromophenyl)thiadiazol-5-yl]-piperidin-1-ylmethanone (CID 100751028) is [4-(4-bromophenyl)thiadiazol-5-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [4-(4-bromophenyl)thiadiazol-5-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [4-(4-bromophenyl)thiadiazol-5-yl]-piperidin-1-ylmethanone is O=C(c1snnc1-c1ccc(Br)cc1)N1CCCCC1.
What is the InChIKey of [4-(4-bromophenyl)thiadiazol-5-yl]-piperidin-1-ylmethanone?
The InChIKey is DLQALZCQANDPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3OS/c15-11-6-4-10(5-7-11)12-13(20-17-16-12)14(19)18-8-2-1-3-9-18/h4-7H,1-3,8-9H2.
What are the key properties of [4-(4-bromophenyl)thiadiazol-5-yl]-piperidin-1-ylmethanone?
[4-(4-bromophenyl)thiadiazol-5-yl]-piperidin-1-ylmethanone has a molecular weight of 352.26 g/mol, XLogP of 3.59, 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]-piperidin-1-ylmethanone is sourced from PubChem (CID 100751028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).