N-(2-methyl-1,3-benzothiazol-6-yl)-4-phenylbenzamide

C21H16N2OS — CID 3386636

IUPACN-(2-methyl-1,3-benzothiazol-6-yl)-4-phenylbenzamide
SMILESCc1nc2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2s1
InChIInChI=1S/C21H16N2OS/c1-14-22-19-12-11-18(13-20(19)25-14)23-21(24)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-13H,1H3,(H,23,24)
InChIKeyNKTJVZIBFIMYIF-UHFFFAOYSA-N
MW344.44 g/mol
LogP5.52
Rot. Bonds3

About N-(2-methyl-1,3-benzothiazol-6-yl)-4-phenylbenzamide

N-(2-methyl-1,3-benzothiazol-6-yl)-4-phenylbenzamide (PubChem CID 3386636) has the molecular formula C21H16N2OS and a molecular weight of 344.44 g/mol. Its IUPAC name is N-(2-methyl-1,3-benzothiazol-6-yl)-4-phenylbenzamide.

Molecular Properties

Compound NameN-(2-methyl-1,3-benzothiazol-6-yl)-4-phenylbenzamide
PubChem CID3386636
Molecular FormulaC21H16N2OS
Molecular Weight344.44 g/mol
Exact Mass344.10
IUPAC NameN-(2-methyl-1,3-benzothiazol-6-yl)-4-phenylbenzamide
SMILESCc1nc2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2s1
InChIInChI=1S/C21H16N2OS/c1-14-22-19-12-11-18(13-20(19)25-14)23-21(24)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-13H,1H3,(H,23,24)
InChIKeyNKTJVZIBFIMYIF-UHFFFAOYSA-N
XLogP5.52
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.44
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(benzenesulfonamido)-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
CID 24636272
3-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
CID 7915285
4-(1,3-dithiolan-2-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
CID 4822322
4-methyl-N-[2-[(4-methylbenzoyl)amino]-1,3-benzothiazol-6-yl]benzamide
CID 23741959
N-(2-amino-1,3-benzothiazol-6-yl)benzamide
CID 823541
3-methoxy-4-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
CID 26693829
N-(2-amino-1,3-benzothiazol-6-yl)-4-methylbenzamide
CID 19894896
N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzamide
CID 959118
N-(3-bromophenyl)-2-methyl-1,3-benzothiazole-6-carboxamide
CID 126196449
N-(2-methyl-1,3-benzothiazol-6-yl)-2H-chromene-3-carboxamide
CID 9046682
N-[2-(benzenesulfonamido)-1,3-benzothiazol-6-yl]-4-methylbenzamide
CID 46291240
2-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)-2-phenylacetamide
CID 43091108

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1,3-benzothiazol-6-yl)-4-phenylbenzamide?
The IUPAC name of N-(2-methyl-1,3-benzothiazol-6-yl)-4-phenylbenzamide (CID 3386636) is N-(2-methyl-1,3-benzothiazol-6-yl)-4-phenylbenzamide.
What is the SMILES notation for N-(2-methyl-1,3-benzothiazol-6-yl)-4-phenylbenzamide?
The canonical SMILES for N-(2-methyl-1,3-benzothiazol-6-yl)-4-phenylbenzamide is Cc1nc2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2s1.
What is the InChIKey of N-(2-methyl-1,3-benzothiazol-6-yl)-4-phenylbenzamide?
The InChIKey is NKTJVZIBFIMYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2OS/c1-14-22-19-12-11-18(13-20(19)25-14)23-21(24)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-13H,1H3,(H,23,24).
What are the key properties of N-(2-methyl-1,3-benzothiazol-6-yl)-4-phenylbenzamide?
N-(2-methyl-1,3-benzothiazol-6-yl)-4-phenylbenzamide has a molecular weight of 344.44 g/mol, XLogP of 5.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1,3-benzothiazol-6-yl)-4-phenylbenzamide is sourced from PubChem (CID 3386636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).