3-bromo-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-propoxybenzamide

C24H21BrN2O2S — CID 17342737

IUPAC3-bromo-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1Br
InChIInChI=1S/C24H21BrN2O2S/c1-3-12-29-21-11-7-17(14-19(21)25)23(28)26-18-8-5-16(6-9-18)24-27-20-10-4-15(2)13-22(20)30-24/h4-11,13-14H,3,12H2,1-2H3,(H,26,28)
InChIKeyVNSYENFAXRXLEB-UHFFFAOYSA-N
MW481.42 g/mol
LogP7.08
Rot. Bonds6

About 3-bromo-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-propoxybenzamide

3-bromo-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-propoxybenzamide (PubChem CID 17342737) has the molecular formula C24H21BrN2O2S and a molecular weight of 481.42 g/mol. Its IUPAC name is 3-bromo-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-propoxybenzamide.

Molecular Properties

Compound Name3-bromo-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-propoxybenzamide
PubChem CID17342737
Molecular FormulaC24H21BrN2O2S
Molecular Weight481.42 g/mol
Exact Mass480.05
IUPAC Name3-bromo-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1Br
InChIInChI=1S/C24H21BrN2O2S/c1-3-12-29-21-11-7-17(14-19(21)25)23(28)26-18-8-5-16(6-9-18)24-27-20-10-4-15(2)13-22(20)30-24/h4-11,13-14H,3,12H2,1-2H3,(H,26,28)
InChIKeyVNSYENFAXRXLEB-UHFFFAOYSA-N
XLogP7.08
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.42
LogP ≤ 57.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-bromo-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-propoxybenzamide 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

3-bromo-N-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-4-(3-methylbutoxy)benzamide
CID 17339674
3-bromo-N-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-4-(2-methylpropoxy)benzamide
CID 17352247
4-(butanoylamino)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide
CID 2952764
2-N,5-N-bis[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyridine-2,5-dicarboxamide
CID 4071461
3,4-dichloro-N-[4-[6-(6-methyl-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-yl]phenyl]benzamide
CID 154464144
5-bromo-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyridine-3-carboxamide
CID 2111789
4-amino-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide
CID 58341983
4-fluoro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide
CID 1126404
3-bromo-N-(4-bromophenyl)-4-propoxybenzamide
CID 17342672
1-[3-(4-bromo-2-chlorophenoxy)propyl]-3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]urea
CID 108882546
3-methoxy-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide
CID 1102694
6-(18F)fluoro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyridine-3-carboxamide
CID 58342198

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-propoxybenzamide?
The IUPAC name of 3-bromo-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-propoxybenzamide (CID 17342737) is 3-bromo-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-propoxybenzamide.
What is the SMILES notation for 3-bromo-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-propoxybenzamide?
The canonical SMILES for 3-bromo-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-propoxybenzamide is CCCOc1ccc(C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1Br.
What is the InChIKey of 3-bromo-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-propoxybenzamide?
The InChIKey is VNSYENFAXRXLEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21BrN2O2S/c1-3-12-29-21-11-7-17(14-19(21)25)23(28)26-18-8-5-16(6-9-18)24-27-20-10-4-15(2)13-22(20)30-24/h4-11,13-14H,3,12H2,1-2H3,(H,26,28).
What are the key properties of 3-bromo-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-propoxybenzamide?
3-bromo-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-propoxybenzamide has a molecular weight of 481.42 g/mol, XLogP of 7.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-propoxybenzamide is sourced from PubChem (CID 17342737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).