N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide

C16H12BrN3O2S — CID 3251286

IUPACN-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1nnc(-c2ccc(Br)cc2)s1
InChIInChI=1S/C16H12BrN3O2S/c1-22-13-5-3-2-4-12(13)14(21)18-16-20-19-15(23-16)10-6-8-11(17)9-7-10/h2-9H,1H3,(H,18,20,21)
InChIKeyNLVDDHIKCYHMMA-UHFFFAOYSA-N
MW390.26 g/mol
LogP4.23
Rot. Bonds4

About N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide

N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide (PubChem CID 3251286) has the molecular formula C16H12BrN3O2S and a molecular weight of 390.26 g/mol. Its IUPAC name is N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide
PubChem CID3251286
Molecular FormulaC16H12BrN3O2S
Molecular Weight390.26 g/mol
Exact Mass388.98
IUPAC NameN-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1nnc(-c2ccc(Br)cc2)s1
InChIInChI=1S/C16H12BrN3O2S/c1-22-13-5-3-2-4-12(13)14(21)18-16-20-19-15(23-16)10-6-8-11(17)9-7-10/h2-9H,1H3,(H,18,20,21)
InChIKeyNLVDDHIKCYHMMA-UHFFFAOYSA-N
XLogP4.23
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.26
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide 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 N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide?
The IUPAC name of N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide (CID 3251286) is N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide.
What is the SMILES notation for N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide?
The canonical SMILES for N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide is COc1ccccc1C(=O)Nc1nnc(-c2ccc(Br)cc2)s1.
What is the InChIKey of N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide?
The InChIKey is NLVDDHIKCYHMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrN3O2S/c1-22-13-5-3-2-4-12(13)14(21)18-16-20-19-15(23-16)10-6-8-11(17)9-7-10/h2-9H,1H3,(H,18,20,21).
What are the key properties of N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide?
N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide has a molecular weight of 390.26 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide is sourced from PubChem (CID 3251286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).