2-[4-[(2-propyl-2H-1,3-benzothiazol-3-yl)methyl]phenyl]benzamide

C24H24N2OS — CID 134143432

IUPAC2-[4-[(2-propyl-2H-1,3-benzothiazol-3-yl)methyl]phenyl]benzamide
SMILESCCCC1Sc2ccccc2N1Cc1ccc(-c2ccccc2C(N)=O)cc1
InChIInChI=1S/C24H24N2OS/c1-2-7-23-26(21-10-5-6-11-22(21)28-23)16-17-12-14-18(15-13-17)19-8-3-4-9-20(19)24(25)27/h3-6,8-15,23H,2,7,16H2,1H3,(H2,25,27)
InChIKeyZHUJESFIKULZRP-UHFFFAOYSA-N
MW388.54 g/mol
LogP5.69
Rot. Bonds6

About 2-[4-[(2-propyl-2H-1,3-benzothiazol-3-yl)methyl]phenyl]benzamide

2-[4-[(2-propyl-2H-1,3-benzothiazol-3-yl)methyl]phenyl]benzamide (PubChem CID 134143432) has the molecular formula C24H24N2OS and a molecular weight of 388.54 g/mol. Its IUPAC name is 2-[4-[(2-propyl-2H-1,3-benzothiazol-3-yl)methyl]phenyl]benzamide.

Molecular Properties

Compound Name2-[4-[(2-propyl-2H-1,3-benzothiazol-3-yl)methyl]phenyl]benzamide
PubChem CID134143432
Molecular FormulaC24H24N2OS
Molecular Weight388.54 g/mol
Exact Mass388.16
IUPAC Name2-[4-[(2-propyl-2H-1,3-benzothiazol-3-yl)methyl]phenyl]benzamide
SMILESCCCC1Sc2ccccc2N1Cc1ccc(-c2ccccc2C(N)=O)cc1
InChIInChI=1S/C24H24N2OS/c1-2-7-23-26(21-10-5-6-11-22(21)28-23)16-17-12-14-18(15-13-17)19-8-3-4-9-20(19)24(25)27/h3-6,8-15,23H,2,7,16H2,1H3,(H2,25,27)
InChIKeyZHUJESFIKULZRP-UHFFFAOYSA-N
XLogP5.69
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.54
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-propyl-2H-1,3-benzothiazol-3-yl)methyl]phenyl]benzamide?
The IUPAC name of 2-[4-[(2-propyl-2H-1,3-benzothiazol-3-yl)methyl]phenyl]benzamide (CID 134143432) is 2-[4-[(2-propyl-2H-1,3-benzothiazol-3-yl)methyl]phenyl]benzamide.
What is the SMILES notation for 2-[4-[(2-propyl-2H-1,3-benzothiazol-3-yl)methyl]phenyl]benzamide?
The canonical SMILES for 2-[4-[(2-propyl-2H-1,3-benzothiazol-3-yl)methyl]phenyl]benzamide is CCCC1Sc2ccccc2N1Cc1ccc(-c2ccccc2C(N)=O)cc1.
What is the InChIKey of 2-[4-[(2-propyl-2H-1,3-benzothiazol-3-yl)methyl]phenyl]benzamide?
The InChIKey is ZHUJESFIKULZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2OS/c1-2-7-23-26(21-10-5-6-11-22(21)28-23)16-17-12-14-18(15-13-17)19-8-3-4-9-20(19)24(25)27/h3-6,8-15,23H,2,7,16H2,1H3,(H2,25,27).
What are the key properties of 2-[4-[(2-propyl-2H-1,3-benzothiazol-3-yl)methyl]phenyl]benzamide?
2-[4-[(2-propyl-2H-1,3-benzothiazol-3-yl)methyl]phenyl]benzamide has a molecular weight of 388.54 g/mol, XLogP of 5.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-propyl-2H-1,3-benzothiazol-3-yl)methyl]phenyl]benzamide is sourced from PubChem (CID 134143432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).