N-(4-bromophenyl)-4-(3-methoxyphenyl)thiadiazole-5-carboxamide

C16H12BrN3O2S — CID 100747027

IUPACN-(4-bromophenyl)-4-(3-methoxyphenyl)thiadiazole-5-carboxamide
SMILESCOc1cccc(-c2nnsc2C(=O)Nc2ccc(Br)cc2)c1
InChIInChI=1S/C16H12BrN3O2S/c1-22-13-4-2-3-10(9-13)14-15(23-20-19-14)16(21)18-12-7-5-11(17)6-8-12/h2-9H,1H3,(H,18,21)
InChIKeyMNVQVDSHWVUGAT-UHFFFAOYSA-N
MW390.26 g/mol
LogP4.23
Rot. Bonds4

About N-(4-bromophenyl)-4-(3-methoxyphenyl)thiadiazole-5-carboxamide

N-(4-bromophenyl)-4-(3-methoxyphenyl)thiadiazole-5-carboxamide (PubChem CID 100747027) has the molecular formula C16H12BrN3O2S and a molecular weight of 390.26 g/mol. Its IUPAC name is N-(4-bromophenyl)-4-(3-methoxyphenyl)thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-4-(3-methoxyphenyl)thiadiazole-5-carboxamide
PubChem CID100747027
Molecular FormulaC16H12BrN3O2S
Molecular Weight390.26 g/mol
Exact Mass388.98
IUPAC NameN-(4-bromophenyl)-4-(3-methoxyphenyl)thiadiazole-5-carboxamide
SMILESCOc1cccc(-c2nnsc2C(=O)Nc2ccc(Br)cc2)c1
InChIInChI=1S/C16H12BrN3O2S/c1-22-13-4-2-3-10(9-13)14-15(23-20-19-14)16(21)18-12-7-5-11(17)6-8-12/h2-9H,1H3,(H,18,21)
InChIKeyMNVQVDSHWVUGAT-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-(4-bromophenyl)-4-(3-methoxyphenyl)thiadiazole-5-carboxamide 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-(3-methoxyphenyl)-N-(3-methylsulfanylphenyl)thiadiazole-5-carboxamide
CID 100747220
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methoxyphenyl)thiadiazole-5-carboxamide
CID 100747200
N-(2-methoxyphenyl)-4-(3-methoxyphenyl)thiadiazole-5-carboxamide
CID 100747133
N-(4-acetamidophenyl)-4-(4-bromophenyl)thiadiazole-5-carboxamide
CID 100750993
N-ethyl-4-(3-methoxyphenyl)thiadiazole-5-carboxamide
CID 100746623
4-(3-methoxyphenyl)thiadiazole-5-carboxylic acid
CID 66489722
4-(4-bromophenyl)-N-(3-chloro-4-methoxyphenyl)thiadiazole-5-carboxamide
CID 100750933
N-(2-methoxy-5-methylphenyl)-4-(3-methoxyphenyl)thiadiazole-5-carboxamide
CID 100747205
4-(4-bromophenyl)-N-(4-carbamoylphenyl)thiadiazole-5-carboxamide
CID 100750972
4-(3-methoxyphenyl)-N-(pyridin-2-ylmethyl)thiadiazole-5-carboxamide
CID 100746847
4-(4-bromophenyl)-N-(2,6-dimethylphenyl)thiadiazole-5-carboxamide
CID 100750600
N-(3-methylphenyl)-4-(4-methylphenyl)thiadiazole-5-carboxamide
CID 100748644

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-4-(3-methoxyphenyl)thiadiazole-5-carboxamide?
The IUPAC name of N-(4-bromophenyl)-4-(3-methoxyphenyl)thiadiazole-5-carboxamide (CID 100747027) is N-(4-bromophenyl)-4-(3-methoxyphenyl)thiadiazole-5-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-4-(3-methoxyphenyl)thiadiazole-5-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-4-(3-methoxyphenyl)thiadiazole-5-carboxamide is COc1cccc(-c2nnsc2C(=O)Nc2ccc(Br)cc2)c1.
What is the InChIKey of N-(4-bromophenyl)-4-(3-methoxyphenyl)thiadiazole-5-carboxamide?
The InChIKey is MNVQVDSHWVUGAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrN3O2S/c1-22-13-4-2-3-10(9-13)14-15(23-20-19-14)16(21)18-12-7-5-11(17)6-8-12/h2-9H,1H3,(H,18,21).
What are the key properties of N-(4-bromophenyl)-4-(3-methoxyphenyl)thiadiazole-5-carboxamide?
N-(4-bromophenyl)-4-(3-methoxyphenyl)thiadiazole-5-carboxamide 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-(4-bromophenyl)-4-(3-methoxyphenyl)thiadiazole-5-carboxamide is sourced from PubChem (CID 100747027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).