2,6-dimethoxy-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide

C19H20N2O3S — CID 7152680

IUPAC2,6-dimethoxy-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
SMILESCOc1cccc(OC)c1C(=O)/N=c1\sc2c(C)ccc(C)c2n1C
InChIInChI=1S/C19H20N2O3S/c1-11-9-10-12(2)17-16(11)21(3)19(25-17)20-18(22)15-13(23-4)7-6-8-14(15)24-5/h6-10H,1-5H3/b20-19-
InChIKeyGNLHQNGYMIESLW-VXPUYCOJSA-N
MW356.45 g/mol
LogP3.61
Rot. Bonds3

About 2,6-dimethoxy-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide

2,6-dimethoxy-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide (PubChem CID 7152680) has the molecular formula C19H20N2O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is 2,6-dimethoxy-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide.

Molecular Properties

Compound Name2,6-dimethoxy-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
PubChem CID7152680
Molecular FormulaC19H20N2O3S
Molecular Weight356.45 g/mol
Exact Mass356.12
IUPAC Name2,6-dimethoxy-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
SMILESCOc1cccc(OC)c1C(=O)/N=c1\sc2c(C)ccc(C)c2n1C
InChIInChI=1S/C19H20N2O3S/c1-11-9-10-12(2)17-16(11)21(3)19(25-17)20-18(22)15-13(23-4)7-6-8-14(15)24-5/h6-10H,1-5H3/b20-19-
InChIKeyGNLHQNGYMIESLW-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

4-fluoro-N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 2150824
3-bromo-N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 40885153
N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)-2-methylpropanamide
CID 2150950
N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)-2-nitrobenzamide
CID 2150968
2,5-dimethyl-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 40885528
N-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-methoxybenzamide
CID 2150976
N-(4,7-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2,3-dimethoxybenzamide
CID 40694401
N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)-4-propan-2-ylsulfanylbenzamide
CID 41127134
2,5-dichloro-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 40885241
2-ethyl-N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)pyrazole-3-carboxamide
CID 42111312
4-(2,5-dioxopyrrolidin-1-yl)-N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 7152631
N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)-2-(2-methoxy-5-methylphenyl)acetamide
CID 16913074

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide?
The IUPAC name of 2,6-dimethoxy-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide (CID 7152680) is 2,6-dimethoxy-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide.
What is the SMILES notation for 2,6-dimethoxy-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide?
The canonical SMILES for 2,6-dimethoxy-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide is COc1cccc(OC)c1C(=O)/N=c1\sc2c(C)ccc(C)c2n1C.
What is the InChIKey of 2,6-dimethoxy-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide?
The InChIKey is GNLHQNGYMIESLW-VXPUYCOJSA-N. The full InChI is InChI=1S/C19H20N2O3S/c1-11-9-10-12(2)17-16(11)21(3)19(25-17)20-18(22)15-13(23-4)7-6-8-14(15)24-5/h6-10H,1-5H3/b20-19-.
What are the key properties of 2,6-dimethoxy-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide?
2,6-dimethoxy-N-(3,4,7-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 2,6-dimethoxy-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide is sourced from PubChem (CID 7152680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).