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

C16H14N2O2S — CID 59141849

IUPACN-(4-methoxy-1,2-benzothiazol-3-yl)-N-methylbenzamide
SMILESCOc1cccc2snc(N(C)C(=O)c3ccccc3)c12
InChIInChI=1S/C16H14N2O2S/c1-18(16(19)11-7-4-3-5-8-11)15-14-12(20-2)9-6-10-13(14)21-17-15/h3-10H,1-2H3
InChIKeyYDYJSMNVOFNNGC-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.58
Rot. Bonds3

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

N-(4-methoxy-1,2-benzothiazol-3-yl)-N-methylbenzamide (PubChem CID 59141849) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is N-(4-methoxy-1,2-benzothiazol-3-yl)-N-methylbenzamide.

Molecular Properties

Compound NameN-(4-methoxy-1,2-benzothiazol-3-yl)-N-methylbenzamide
PubChem CID59141849
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC NameN-(4-methoxy-1,2-benzothiazol-3-yl)-N-methylbenzamide
SMILESCOc1cccc2snc(N(C)C(=O)c3ccccc3)c12
InChIInChI=1S/C16H14N2O2S/c1-18(16(19)11-7-4-3-5-8-11)15-14-12(20-2)9-6-10-13(14)21-17-15/h3-10H,1-2H3
InChIKeyYDYJSMNVOFNNGC-UHFFFAOYSA-N
XLogP3.58
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-1,2-benzothiazol-3-yl)-N-ethylbenzamide
CID 59141837
N-(2-methoxy-6-methylphenyl)-N-methylbenzamide
CID 68723005
6-chloro-N-(4-chloro-1,2-benzothiazol-3-yl)-N-methylpyridine-3-carboxamide
CID 59141892
4-methoxy-3-methyl-1,2-benzothiazole
CID 58327602
ethane;N-methyl-N-[3-(N-methylanilino)phenyl]benzamide;N-methyl-3-(N-methylanilino)-N-phenylbenzamide
CID 161374433
N-(2-methoxyphenyl)-N-methyl-3-sulfanylbenzamide
CID 107027620
N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide
CID 60736732
3-hydroxy-4-methoxy-N-methyl-N-phenylbenzamide
CID 79725609
N-ethyl-N-(2-methoxyphenyl)benzamide
CID 138322543
N-[2-(diethylamino)ethyl]-4-(dimethylamino)-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide;hydrochloride
CID 44925954
2,3,4-trimethoxy-N-methyl-N-phenylbenzamide
CID 51161127
N-[3-[benzoyl(methyl)amino]phenyl]-N-methylbenzamide
CID 59642334

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-1,2-benzothiazol-3-yl)-N-methylbenzamide?
The IUPAC name of N-(4-methoxy-1,2-benzothiazol-3-yl)-N-methylbenzamide (CID 59141849) is N-(4-methoxy-1,2-benzothiazol-3-yl)-N-methylbenzamide.
What is the SMILES notation for N-(4-methoxy-1,2-benzothiazol-3-yl)-N-methylbenzamide?
The canonical SMILES for N-(4-methoxy-1,2-benzothiazol-3-yl)-N-methylbenzamide is COc1cccc2snc(N(C)C(=O)c3ccccc3)c12.
What is the InChIKey of N-(4-methoxy-1,2-benzothiazol-3-yl)-N-methylbenzamide?
The InChIKey is YDYJSMNVOFNNGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c1-18(16(19)11-7-4-3-5-8-11)15-14-12(20-2)9-6-10-13(14)21-17-15/h3-10H,1-2H3.
What are the key properties of N-(4-methoxy-1,2-benzothiazol-3-yl)-N-methylbenzamide?
N-(4-methoxy-1,2-benzothiazol-3-yl)-N-methylbenzamide has a molecular weight of 298.37 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-1,2-benzothiazol-3-yl)-N-methylbenzamide is sourced from PubChem (CID 59141849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).