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

C20H22N2O3S — CID 16848920

IUPACN-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)-2,5-dimethoxybenzamide
SMILESCCn1/c(=N/C(=O)c2cc(OC)ccc2OC)sc2c(C)cc(C)cc21
InChIInChI=1S/C20H22N2O3S/c1-6-22-16-10-12(2)9-13(3)18(16)26-20(22)21-19(23)15-11-14(24-4)7-8-17(15)25-5/h7-11H,6H2,1-5H3/b21-20-
InChIKeyMWONCKGCQFPSBN-MRCUWXFGSA-N
MW370.47 g/mol
LogP4.10
Rot. Bonds4

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

N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)-2,5-dimethoxybenzamide (PubChem CID 16848920) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)-2,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)-2,5-dimethoxybenzamide
PubChem CID16848920
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC NameN-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)-2,5-dimethoxybenzamide
SMILESCCn1/c(=N/C(=O)c2cc(OC)ccc2OC)sc2c(C)cc(C)cc21
InChIInChI=1S/C20H22N2O3S/c1-6-22-16-10-12(2)9-13(3)18(16)26-20(22)21-19(23)15-11-14(24-4)7-8-17(15)25-5/h7-11H,6H2,1-5H3/b21-20-
InChIKeyMWONCKGCQFPSBN-MRCUWXFGSA-N
XLogP4.10
TPSA52.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(2-ethoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]-2,5-dimethoxybenzamide
CID 16848926
N-(5,7-dimethyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2,5-dimethoxybenzamide
CID 16848931
N-(3-ethyl-4-methoxy-7-methyl-1,3-benzothiazol-2-ylidene)-2,5-dimethoxybenzamide
CID 16849030
N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)-3-methoxybenzamide
CID 40885171
N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)-2-(3-methoxyphenyl)acetamide
CID 16912424
N-(7-ethyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-2,5-dimethoxybenzamide
CID 16849024
2-(2,4-dimethylphenyl)-N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)acetamide
CID 42524680
methyl 2-[2-(2,3-dimethoxybenzoyl)imino-5,7-dimethyl-1,3-benzothiazol-3-yl]acetate
CID 40508387
N-(5,7-dimethyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2,3-dimethoxybenzamide
CID 40694396
N-(4,7-dichloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2,5-dimethoxybenzamide
CID 16848932
2,4-dimethyl-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 40885536
2-(2-methoxy-5-methylphenyl)-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)acetamide
CID 16912970

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)-2,5-dimethoxybenzamide?
The IUPAC name of N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)-2,5-dimethoxybenzamide (CID 16848920) is N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)-2,5-dimethoxybenzamide.
What is the SMILES notation for N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)-2,5-dimethoxybenzamide?
The canonical SMILES for N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)-2,5-dimethoxybenzamide is CCn1/c(=N/C(=O)c2cc(OC)ccc2OC)sc2c(C)cc(C)cc21.
What is the InChIKey of N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)-2,5-dimethoxybenzamide?
The InChIKey is MWONCKGCQFPSBN-MRCUWXFGSA-N. The full InChI is InChI=1S/C20H22N2O3S/c1-6-22-16-10-12(2)9-13(3)18(16)26-20(22)21-19(23)15-11-14(24-4)7-8-17(15)25-5/h7-11H,6H2,1-5H3/b21-20-.
What are the key properties of N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)-2,5-dimethoxybenzamide?
N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)-2,5-dimethoxybenzamide has a molecular weight of 370.47 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)-2,5-dimethoxybenzamide is sourced from PubChem (CID 16848920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).