4-bromo-N-(3-propyl-1,2,4-thiadiazol-5-yl)benzamide

C12H12BrN3OS — CID 51134352

IUPAC4-bromo-N-(3-propyl-1,2,4-thiadiazol-5-yl)benzamide
SMILESCCCc1nsc(NC(=O)c2ccc(Br)cc2)n1
InChIInChI=1S/C12H12BrN3OS/c1-2-3-10-14-12(18-16-10)15-11(17)8-4-6-9(13)7-5-8/h4-7H,2-3H2,1H3,(H,14,15,16,17)
InChIKeyRQSAGTJDWPCZEJ-UHFFFAOYSA-N
MW326.22 g/mol
LogP3.51
Rot. Bonds4

About 4-bromo-N-(3-propyl-1,2,4-thiadiazol-5-yl)benzamide

4-bromo-N-(3-propyl-1,2,4-thiadiazol-5-yl)benzamide (PubChem CID 51134352) has the molecular formula C12H12BrN3OS and a molecular weight of 326.22 g/mol. Its IUPAC name is 4-bromo-N-(3-propyl-1,2,4-thiadiazol-5-yl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(3-propyl-1,2,4-thiadiazol-5-yl)benzamide
PubChem CID51134352
Molecular FormulaC12H12BrN3OS
Molecular Weight326.22 g/mol
Exact Mass324.99
IUPAC Name4-bromo-N-(3-propyl-1,2,4-thiadiazol-5-yl)benzamide
SMILESCCCc1nsc(NC(=O)c2ccc(Br)cc2)n1
InChIInChI=1S/C12H12BrN3OS/c1-2-3-10-14-12(18-16-10)15-11(17)8-4-6-9(13)7-5-8/h4-7H,2-3H2,1H3,(H,14,15,16,17)
InChIKeyRQSAGTJDWPCZEJ-UHFFFAOYSA-N
XLogP3.51
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.22
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-bromo-N-(3-propyl-1,2,4-thiadiazol-5-yl)benzamide 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-methylsulfanyl-N-(3-propyl-1,2,4-thiadiazol-5-yl)benzamide
CID 100669326
4-bromo-N-[4-[2-[(4-bromobenzoyl)amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]benzamide
CID 3408651
2-amino-N-(3-propyl-1,2,4-thiadiazol-5-yl)acetamide
CID 130736061
4-bromo-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 683754
N-[3-(2-hydroxypropyl)-1,2,4-thiadiazol-5-yl]-4-methylbenzamide
CID 22423739
N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]pyridine-4-carboxamide
CID 82121906
4-bromo-N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]benzamide
CID 17013946
4-chloro-N-[3-[(2R)-2-hydroxypropyl]-1,2,4-thiadiazol-5-yl]benzamide
CID 92699849
4-[2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethyl]benzoic acid
CID 65273614
4-bromo-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 988802
N-[4-(4-bromophenyl)-5-propyl-1,3-thiazol-2-yl]-4-nitrobenzamide
CID 1282398
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(dipropylsulfamoyl)benzamide
CID 3271208

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3-propyl-1,2,4-thiadiazol-5-yl)benzamide?
The IUPAC name of 4-bromo-N-(3-propyl-1,2,4-thiadiazol-5-yl)benzamide (CID 51134352) is 4-bromo-N-(3-propyl-1,2,4-thiadiazol-5-yl)benzamide.
What is the SMILES notation for 4-bromo-N-(3-propyl-1,2,4-thiadiazol-5-yl)benzamide?
The canonical SMILES for 4-bromo-N-(3-propyl-1,2,4-thiadiazol-5-yl)benzamide is CCCc1nsc(NC(=O)c2ccc(Br)cc2)n1.
What is the InChIKey of 4-bromo-N-(3-propyl-1,2,4-thiadiazol-5-yl)benzamide?
The InChIKey is RQSAGTJDWPCZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3OS/c1-2-3-10-14-12(18-16-10)15-11(17)8-4-6-9(13)7-5-8/h4-7H,2-3H2,1H3,(H,14,15,16,17).
What are the key properties of 4-bromo-N-(3-propyl-1,2,4-thiadiazol-5-yl)benzamide?
4-bromo-N-(3-propyl-1,2,4-thiadiazol-5-yl)benzamide has a molecular weight of 326.22 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3-propyl-1,2,4-thiadiazol-5-yl)benzamide is sourced from PubChem (CID 51134352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).