N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)-4-methylbenzamide

C22H18N2O2S — CID 22283126

IUPACN-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)-4-methylbenzamide
SMILESCOc1ccc(-c2ccccc2)c2sc(NC(=O)c3ccc(C)cc3)nc12
InChIInChI=1S/C22H18N2O2S/c1-14-8-10-16(11-9-14)21(25)24-22-23-19-18(26-2)13-12-17(20(19)27-22)15-6-4-3-5-7-15/h3-13H,1-2H3,(H,23,24,25)
InChIKeyNFTPSSADXKWLOK-UHFFFAOYSA-N
MW374.47 g/mol
LogP5.53
Rot. Bonds4

About N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)-4-methylbenzamide

N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)-4-methylbenzamide (PubChem CID 22283126) has the molecular formula C22H18N2O2S and a molecular weight of 374.47 g/mol. Its IUPAC name is N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)-4-methylbenzamide.

Molecular Properties

Compound NameN-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)-4-methylbenzamide
PubChem CID22283126
Molecular FormulaC22H18N2O2S
Molecular Weight374.47 g/mol
Exact Mass374.11
IUPAC NameN-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)-4-methylbenzamide
SMILESCOc1ccc(-c2ccccc2)c2sc(NC(=O)c3ccc(C)cc3)nc12
InChIInChI=1S/C22H18N2O2S/c1-14-8-10-16(11-9-14)21(25)24-22-23-19-18(26-2)13-12-17(20(19)27-22)15-6-4-3-5-7-15/h3-13H,1-2H3,(H,23,24,25)
InChIKeyNFTPSSADXKWLOK-UHFFFAOYSA-N
XLogP5.53
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.47
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)pyridine-4-carboxamide
CID 10109223
4-(ethylaminomethyl)-N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)benzamide
CID 22283069
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)benzamide
CID 7192494
2-[(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)amino]-2-oxoacetic acid
CID 22283377
N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)-4-(propylaminomethyl)benzamide;hydrochloride
CID 22283213
N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)-4-[(2-methylimidazol-1-yl)methyl]benzamide
CID 22283032
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-methoxybenzamide
CID 7172907
4-benzoyl-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 41073963
N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)morpholine-4-carboxamide
CID 10155956
4-methoxy-N-[4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-yl]benzamide
CID 1207301
N-(4-methoxy-7-piperidin-4-yl-1,3-benzothiazol-2-yl)-4-methylbenzamide;hydrochloride
CID 22719572
N-(7-acetamido-4-methoxy-1,3-benzothiazol-2-yl)-4-fluorobenzamide
CID 22283414

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)-4-methylbenzamide?
The IUPAC name of N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)-4-methylbenzamide (CID 22283126) is N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)-4-methylbenzamide.
What is the SMILES notation for N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)-4-methylbenzamide?
The canonical SMILES for N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)-4-methylbenzamide is COc1ccc(-c2ccccc2)c2sc(NC(=O)c3ccc(C)cc3)nc12.
What is the InChIKey of N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)-4-methylbenzamide?
The InChIKey is NFTPSSADXKWLOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2S/c1-14-8-10-16(11-9-14)21(25)24-22-23-19-18(26-2)13-12-17(20(19)27-22)15-6-4-3-5-7-15/h3-13H,1-2H3,(H,23,24,25).
What are the key properties of N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)-4-methylbenzamide?
N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)-4-methylbenzamide has a molecular weight of 374.47 g/mol, XLogP of 5.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)-4-methylbenzamide is sourced from PubChem (CID 22283126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).