N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)-3-methoxybenzamide

C19H20N2O2S — CID 40885171

IUPACN-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)-3-methoxybenzamide
SMILESCCn1/c(=N/C(=O)c2cccc(OC)c2)sc2c(C)cc(C)cc21
InChIInChI=1S/C19H20N2O2S/c1-5-21-16-10-12(2)9-13(3)17(16)24-19(21)20-18(22)14-7-6-8-15(11-14)23-4/h6-11H,5H2,1-4H3/b20-19-
InChIKeyUSMAYUIDNZGJEY-VXPUYCOJSA-N
MW340.45 g/mol
LogP4.09
Rot. Bonds3

About N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)-3-methoxybenzamide

N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)-3-methoxybenzamide (PubChem CID 40885171) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)-3-methoxybenzamide.

Molecular Properties

Compound NameN-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)-3-methoxybenzamide
PubChem CID40885171
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC NameN-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)-3-methoxybenzamide
SMILESCCn1/c(=N/C(=O)c2cccc(OC)c2)sc2c(C)cc(C)cc21
InChIInChI=1S/C19H20N2O2S/c1-5-21-16-10-12(2)9-13(3)17(16)24-19(21)20-18(22)14-7-6-8-15(11-14)23-4/h6-11H,5H2,1-4H3/b20-19-
InChIKeyUSMAYUIDNZGJEY-VXPUYCOJSA-N
XLogP4.09
TPSA43.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)-2-(3-methoxyphenyl)acetamide
CID 16912424
N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)-2,5-dimethoxybenzamide
CID 16848920
3-butoxy-N-[3-(2-methoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]benzamide
CID 40888260
3-butoxy-N-(5,7-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43946292
4-(2,5-dioxopyrrolidin-1-yl)-N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 7152633
N-(5,7-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 121043360
4-cyano-N-(5,7-dimethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 41136763
N-[5,7-dimethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3-fluorobenzamide
CID 41125937
N-[5,7-dimethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]benzamide
CID 41125927
N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 5078156
ethyl 2-[2-(3-methoxybenzoyl)imino-5,6-dimethyl-1,3-benzothiazol-3-yl]acetate
CID 40697718
N-[3-(2-ethoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]-2,5-dimethoxybenzamide
CID 16848926

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)-3-methoxybenzamide?
The IUPAC name of N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)-3-methoxybenzamide (CID 40885171) is N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)-3-methoxybenzamide.
What is the SMILES notation for N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)-3-methoxybenzamide?
The canonical SMILES for N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)-3-methoxybenzamide is CCn1/c(=N/C(=O)c2cccc(OC)c2)sc2c(C)cc(C)cc21.
What is the InChIKey of N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)-3-methoxybenzamide?
The InChIKey is USMAYUIDNZGJEY-VXPUYCOJSA-N. The full InChI is InChI=1S/C19H20N2O2S/c1-5-21-16-10-12(2)9-13(3)17(16)24-19(21)20-18(22)14-7-6-8-15(11-14)23-4/h6-11H,5H2,1-4H3/b20-19-.
What are the key properties of N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)-3-methoxybenzamide?
N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)-3-methoxybenzamide has a molecular weight of 340.45 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)-3-methoxybenzamide is sourced from PubChem (CID 40885171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).