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

C16H14N2O2S2 — CID 3512534

IUPACN-(1,3-benzothiazol-2-yl)-2-methoxy-4-methylsulfanylbenzamide
SMILESCOc1cc(SC)ccc1C(=O)Nc1nc2ccccc2s1
InChIInChI=1S/C16H14N2O2S2/c1-20-13-9-10(21-2)7-8-11(13)15(19)18-16-17-12-5-3-4-6-14(12)22-16/h3-9H,1-2H3,(H,17,18,19)
InChIKeyZFACZOOCYYWICF-UHFFFAOYSA-N
MW330.43 g/mol
LogP4.28
Rot. Bonds4

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

N-(1,3-benzothiazol-2-yl)-2-methoxy-4-methylsulfanylbenzamide (PubChem CID 3512534) has the molecular formula C16H14N2O2S2 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-methoxy-4-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2-methoxy-4-methylsulfanylbenzamide
PubChem CID3512534
Molecular FormulaC16H14N2O2S2
Molecular Weight330.43 g/mol
Exact Mass330.05
IUPAC NameN-(1,3-benzothiazol-2-yl)-2-methoxy-4-methylsulfanylbenzamide
SMILESCOc1cc(SC)ccc1C(=O)Nc1nc2ccccc2s1
InChIInChI=1S/C16H14N2O2S2/c1-20-13-9-10(21-2)7-8-11(13)15(19)18-16-17-12-5-3-4-6-14(12)22-16/h3-9H,1-2H3,(H,17,18,19)
InChIKeyZFACZOOCYYWICF-UHFFFAOYSA-N
XLogP4.28
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzothiazol-2-yl)-2-chloro-4,5-dimethoxybenzamide
CID 54516374
N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-2-methoxy-4-methylsulfanylbenzamide
CID 1307354
N-(1,3-benzothiazol-2-yl)-3-ethoxy-4-methoxybenzamide
CID 8882491
N-(4-fluoro-1,3-benzothiazol-2-yl)-2,4-dimethoxybenzamide
CID 7193198
N-(1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carboxamide
CID 86264452
1-(4-methoxyphenyl)-3-(6-methylsulfanyl-1,3-benzothiazol-2-yl)urea
CID 121081181
N-(6-acetamido-1,3-benzothiazol-2-yl)-3-methoxynaphthalene-2-carboxamide
CID 1092938
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2,4-dimethoxybenzamide
CID 1091092
N-(1,3-benzothiazol-2-yl)-4-(difluoromethoxy)-3-methoxybenzamide
CID 2676970
N-[(2R)-1-(1,3-benzothiazol-2-ylamino)-4-methylsulfanyl-1-oxobutan-2-yl]-2-methoxybenzamide
CID 8881985
2-amino-N-(1,3-benzothiazol-2-yl)benzamide
CID 828314
N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 7615080

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-methoxy-4-methylsulfanylbenzamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-methoxy-4-methylsulfanylbenzamide (CID 3512534) is N-(1,3-benzothiazol-2-yl)-2-methoxy-4-methylsulfanylbenzamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-methoxy-4-methylsulfanylbenzamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-methoxy-4-methylsulfanylbenzamide is COc1cc(SC)ccc1C(=O)Nc1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-methoxy-4-methylsulfanylbenzamide?
The InChIKey is ZFACZOOCYYWICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S2/c1-20-13-9-10(21-2)7-8-11(13)15(19)18-16-17-12-5-3-4-6-14(12)22-16/h3-9H,1-2H3,(H,17,18,19).
What are the key properties of N-(1,3-benzothiazol-2-yl)-2-methoxy-4-methylsulfanylbenzamide?
N-(1,3-benzothiazol-2-yl)-2-methoxy-4-methylsulfanylbenzamide has a molecular weight of 330.43 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-2-methoxy-4-methylsulfanylbenzamide is sourced from PubChem (CID 3512534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).