N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide

C17H16N2OS — CID 16938385

IUPACN-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
SMILESCC(C)c1cccc2sc(NC(=O)c3ccccc3)nc12
InChIInChI=1S/C17H16N2OS/c1-11(2)13-9-6-10-14-15(13)18-17(21-14)19-16(20)12-7-4-3-5-8-12/h3-11H,1-2H3,(H,18,19,20)
InChIKeyYYEDELINBIHROS-UHFFFAOYSA-N
MW296.39 g/mol
LogP4.67
Rot. Bonds3

About N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide

N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide (PubChem CID 16938385) has the molecular formula C17H16N2OS and a molecular weight of 296.39 g/mol. Its IUPAC name is N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound NameN-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
PubChem CID16938385
Molecular FormulaC17H16N2OS
Molecular Weight296.39 g/mol
Exact Mass296.10
IUPAC NameN-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
SMILESCC(C)c1cccc2sc(NC(=O)c3ccccc3)nc12
InChIInChI=1S/C17H16N2OS/c1-11(2)13-9-6-10-14-15(13)18-17(21-14)19-16(20)12-7-4-3-5-8-12/h3-11H,1-2H3,(H,18,19,20)
InChIKeyYYEDELINBIHROS-UHFFFAOYSA-N
XLogP4.67
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
CID 16938400
N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-3,5-bis(trifluoromethyl)benzamide
CID 43990025
2,2-dimethyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)propanamide
CID 16938454
N-(4-bromo-1,3-benzothiazol-2-yl)benzamide
CID 7202695
N-(4-propan-2-yl-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
CID 16938450
1-(2-phenylethyl)-3-(4-propan-2-yl-1,3-benzothiazol-2-yl)urea
CID 121081369
4-(dibutylsulfamoyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
CID 16938474
N-(4-cyano-1,3-benzothiazol-2-yl)benzamide
CID 134128549
3-phenoxy-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)propanamide
CID 16938430
2-benzamido-N-(4-methyl-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 16914998
1-cyclopentyl-3-(4-propan-2-yl-1,3-benzothiazol-2-yl)urea
CID 121082874
5-nitro-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 16938418

Frequently Asked Questions

What is the IUPAC name of N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide (CID 16938385) is N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide is CC(C)c1cccc2sc(NC(=O)c3ccccc3)nc12.
What is the InChIKey of N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is YYEDELINBIHROS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2OS/c1-11(2)13-9-6-10-14-15(13)18-17(21-14)19-16(20)12-7-4-3-5-8-12/h3-11H,1-2H3,(H,18,19,20).
What are the key properties of N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide?
N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 296.39 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 16938385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).