2,5-dimethoxy-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide

C19H20N2O3S — CID 16848905

IUPAC2,5-dimethoxy-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
SMILESCOc1ccc(OC)c(C(=O)/N=c2\sc3ccc(C)c(C)c3n2C)c1
InChIInChI=1S/C19H20N2O3S/c1-11-6-9-16-17(12(11)2)21(3)19(25-16)20-18(22)14-10-13(23-4)7-8-15(14)24-5/h6-10H,1-5H3/b20-19-
InChIKeyWEOCYRUIJZTSEA-VXPUYCOJSA-N
MW356.45 g/mol
LogP3.61
Rot. Bonds3

About 2,5-dimethoxy-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide

2,5-dimethoxy-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide (PubChem CID 16848905) has the molecular formula C19H20N2O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is 2,5-dimethoxy-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide.

Molecular Properties

Compound Name2,5-dimethoxy-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
PubChem CID16848905
Molecular FormulaC19H20N2O3S
Molecular Weight356.45 g/mol
Exact Mass356.12
IUPAC Name2,5-dimethoxy-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
SMILESCOc1ccc(OC)c(C(=O)/N=c2\sc3ccc(C)c(C)c3n2C)c1
InChIInChI=1S/C19H20N2O3S/c1-11-6-9-16-17(12(11)2)21(3)19(25-16)20-18(22)14-10-13(23-4)7-8-15(14)24-5/h6-10H,1-5H3/b20-19-
InChIKeyWEOCYRUIJZTSEA-VXPUYCOJSA-N
XLogP3.61
TPSA52.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dimethoxy-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 3474147
2-methyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 5001748
N-(3-ethyl-4-methoxy-7-methyl-1,3-benzothiazol-2-ylidene)-2,5-dimethoxybenzamide
CID 16849030
2-methylsulfanyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 40951787
N-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2,4-dimethoxybenzamide
CID 2150844
4-fluoro-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 3345967
3-methyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)-1,2-oxazole-5-carboxamide
CID 16879982
2-ethylsulfonyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 7553153
N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)-3,5-dimethoxybenzamide
CID 5225520
2,5-dimethoxy-N-[3-(2-methoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]benzamide
CID 16848947
N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)-2,5-dimethoxybenzamide
CID 16848920
N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)cyclohexanecarboxamide
CID 5112536

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide?
The IUPAC name of 2,5-dimethoxy-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide (CID 16848905) is 2,5-dimethoxy-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide.
What is the SMILES notation for 2,5-dimethoxy-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide?
The canonical SMILES for 2,5-dimethoxy-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide is COc1ccc(OC)c(C(=O)/N=c2\sc3ccc(C)c(C)c3n2C)c1.
What is the InChIKey of 2,5-dimethoxy-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide?
The InChIKey is WEOCYRUIJZTSEA-VXPUYCOJSA-N. The full InChI is InChI=1S/C19H20N2O3S/c1-11-6-9-16-17(12(11)2)21(3)19(25-16)20-18(22)14-10-13(23-4)7-8-15(14)24-5/h6-10H,1-5H3/b20-19-.
What are the key properties of 2,5-dimethoxy-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide?
2,5-dimethoxy-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide has a molecular weight of 356.45 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide is sourced from PubChem (CID 16848905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).