5-amino-N-(2-bromo-5-chloro-4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide

C10H8BrClN4OS — CID 113445673

IUPAC5-amino-N-(2-bromo-5-chloro-4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
SMILESCc1cc(Br)c(NC(=O)c2nnc(N)s2)cc1Cl
InChIInChI=1S/C10H8BrClN4OS/c1-4-2-5(11)7(3-6(4)12)14-8(17)9-15-16-10(13)18-9/h2-3H,1H3,(H2,13,16)(H,14,17)
InChIKeyFQDIYXOSBSRGBX-UHFFFAOYSA-N
MW347.63 g/mol
LogP3.10
Rot. Bonds2

About 5-amino-N-(2-bromo-5-chloro-4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide

5-amino-N-(2-bromo-5-chloro-4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 113445673) has the molecular formula C10H8BrClN4OS and a molecular weight of 347.63 g/mol. Its IUPAC name is 5-amino-N-(2-bromo-5-chloro-4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-(2-bromo-5-chloro-4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
PubChem CID113445673
Molecular FormulaC10H8BrClN4OS
Molecular Weight347.63 g/mol
Exact Mass345.93
IUPAC Name5-amino-N-(2-bromo-5-chloro-4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
SMILESCc1cc(Br)c(NC(=O)c2nnc(N)s2)cc1Cl
InChIInChI=1S/C10H8BrClN4OS/c1-4-2-5(11)7(3-6(4)12)14-8(17)9-15-16-10(13)18-9/h2-3H,1H3,(H2,13,16)(H,14,17)
InChIKeyFQDIYXOSBSRGBX-UHFFFAOYSA-N
XLogP3.10
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.63
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-amino-N-(2-bromo-5-chloro-4-methylphenyl)-1,3,4-thiadiazole-2-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

N-(2-bromo-5-chloro-4-methylphenyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 104725156
5-amino-N-(4-bromo-2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80618601
N-(2-bromo-5-chloro-4-methylphenyl)pyridine-4-carboxamide
CID 104723857
5-amino-N-(2,3-dichlorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80619531
N-(2-bromo-5-chloro-4-methylphenyl)pyridine-2-carboxamide
CID 113445582
3-bromo-N-(2-bromo-5-chloro-4-methylphenyl)thiophene-2-carboxamide
CID 104723934
N-(2-bromo-5-chloro-4-methylphenyl)-3-methylthiophene-2-carboxamide
CID 104723964
5-amino-2-bromo-N-(2-bromo-5-chloro-4-methylphenyl)-4-fluorobenzamide
CID 104722210
N-(2-bromo-5-chloro-4-methylphenyl)-6-(methylamino)pyridazine-3-carboxamide
CID 104725169
4-amino-N-(2-bromo-5-chloro-4-methylphenyl)-1-methylpyrrole-2-carboxamide
CID 104722153
5-amino-N-(3-bromo-5-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 107578608
N-(2-bromo-5-chloro-4-methylphenyl)-2,5-dichloropyridine-4-carboxamide
CID 114918857

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-bromo-5-chloro-4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-amino-N-(2-bromo-5-chloro-4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide (CID 113445673) is 5-amino-N-(2-bromo-5-chloro-4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-amino-N-(2-bromo-5-chloro-4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-amino-N-(2-bromo-5-chloro-4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide is Cc1cc(Br)c(NC(=O)c2nnc(N)s2)cc1Cl.
What is the InChIKey of 5-amino-N-(2-bromo-5-chloro-4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is FQDIYXOSBSRGBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClN4OS/c1-4-2-5(11)7(3-6(4)12)14-8(17)9-15-16-10(13)18-9/h2-3H,1H3,(H2,13,16)(H,14,17).
What are the key properties of 5-amino-N-(2-bromo-5-chloro-4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide?
5-amino-N-(2-bromo-5-chloro-4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 347.63 g/mol, XLogP of 3.10, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-bromo-5-chloro-4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 113445673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).