3,4,5-triethoxy-N-(3-ethyl-4-methoxy-7-methyl-1,3-benzothiazol-2-ylidene)benzamide

C24H30N2O5S — CID 40885456

IUPAC3,4,5-triethoxy-N-(3-ethyl-4-methoxy-7-methyl-1,3-benzothiazol-2-ylidene)benzamide
SMILESCCOc1cc(C(=O)/N=c2\sc3c(C)ccc(OC)c3n2CC)cc(OCC)c1OCC
InChIInChI=1S/C24H30N2O5S/c1-7-26-20-17(28-6)12-11-15(5)22(20)32-24(26)25-23(27)16-13-18(29-8-2)21(31-10-4)19(14-16)30-9-3/h11-14H,7-10H2,1-6H3/b25-24-
InChIKeyPNRTZUPMWGOPRC-IZHYLOQSSA-N
MW458.58 g/mol
LogP4.98
Rot. Bonds9

About 3,4,5-triethoxy-N-(3-ethyl-4-methoxy-7-methyl-1,3-benzothiazol-2-ylidene)benzamide

3,4,5-triethoxy-N-(3-ethyl-4-methoxy-7-methyl-1,3-benzothiazol-2-ylidene)benzamide (PubChem CID 40885456) has the molecular formula C24H30N2O5S and a molecular weight of 458.58 g/mol. Its IUPAC name is 3,4,5-triethoxy-N-(3-ethyl-4-methoxy-7-methyl-1,3-benzothiazol-2-ylidene)benzamide.

Molecular Properties

Compound Name3,4,5-triethoxy-N-(3-ethyl-4-methoxy-7-methyl-1,3-benzothiazol-2-ylidene)benzamide
PubChem CID40885456
Molecular FormulaC24H30N2O5S
Molecular Weight458.58 g/mol
Exact Mass458.19
IUPAC Name3,4,5-triethoxy-N-(3-ethyl-4-methoxy-7-methyl-1,3-benzothiazol-2-ylidene)benzamide
SMILESCCOc1cc(C(=O)/N=c2\sc3c(C)ccc(OC)c3n2CC)cc(OCC)c1OCC
InChIInChI=1S/C24H30N2O5S/c1-7-26-20-17(28-6)12-11-15(5)22(20)32-24(26)25-23(27)16-13-18(29-8-2)21(31-10-4)19(14-16)30-9-3/h11-14H,7-10H2,1-6H3/b25-24-
InChIKeyPNRTZUPMWGOPRC-IZHYLOQSSA-N
XLogP4.98
TPSA71.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.58
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-ethyl-4-methoxy-7-methyl-1,3-benzothiazol-2-ylidene)-3,4-dimethylbenzamide
CID 40885254
N-(3-ethyl-4-methoxy-7-methyl-1,3-benzothiazol-2-ylidene)-2,5-dimethoxybenzamide
CID 16849030
N-(3-ethyl-4-methoxy-7-methyl-1,3-benzothiazol-2-ylidene)-3-nitrobenzamide
CID 2150822
N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-3,4,5-triethoxybenzamide
CID 40885452
2,4-dichloro-N-(3-ethyl-4-methoxy-7-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 40885192
N-(3-ethyl-4-methoxy-7-methyl-1,3-benzothiazol-2-ylidene)cyclopropanecarboxamide
CID 2150938
N-(3-ethyl-4-methoxy-7-methyl-1,3-benzothiazol-2-ylidene)-2-(2-methoxy-5-methylphenyl)acetamide
CID 16913075
N-(4-methoxy-7-methyl-3-propyl-1,3-benzothiazol-2-ylidene)-3,5-dinitrobenzamide
CID 41136959
2-(2,5-dioxopyrrolidin-1-yl)-N-(3-ethyl-4-methoxy-7-methyl-1,3-benzothiazol-2-ylidene)acetamide
CID 2151002
4-[cyclohexyl(methyl)sulfamoyl]-N-(3-ethyl-4-methoxy-7-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 4612904
4-(2,5-dihydroxypyrrol-1-yl)-N-(3-ethyl-4,7-dimethoxy-1,3-benzothiazol-2-ylidene)benzamide
CID 91896481
N-(3-ethyl-4,7-dimethoxy-1,3-benzothiazol-2-ylidene)-3-methylsulfanylbenzamide
CID 40694939

Frequently Asked Questions

What is the IUPAC name of 3,4,5-triethoxy-N-(3-ethyl-4-methoxy-7-methyl-1,3-benzothiazol-2-ylidene)benzamide?
The IUPAC name of 3,4,5-triethoxy-N-(3-ethyl-4-methoxy-7-methyl-1,3-benzothiazol-2-ylidene)benzamide (CID 40885456) is 3,4,5-triethoxy-N-(3-ethyl-4-methoxy-7-methyl-1,3-benzothiazol-2-ylidene)benzamide.
What is the SMILES notation for 3,4,5-triethoxy-N-(3-ethyl-4-methoxy-7-methyl-1,3-benzothiazol-2-ylidene)benzamide?
The canonical SMILES for 3,4,5-triethoxy-N-(3-ethyl-4-methoxy-7-methyl-1,3-benzothiazol-2-ylidene)benzamide is CCOc1cc(C(=O)/N=c2\sc3c(C)ccc(OC)c3n2CC)cc(OCC)c1OCC.
What is the InChIKey of 3,4,5-triethoxy-N-(3-ethyl-4-methoxy-7-methyl-1,3-benzothiazol-2-ylidene)benzamide?
The InChIKey is PNRTZUPMWGOPRC-IZHYLOQSSA-N. The full InChI is InChI=1S/C24H30N2O5S/c1-7-26-20-17(28-6)12-11-15(5)22(20)32-24(26)25-23(27)16-13-18(29-8-2)21(31-10-4)19(14-16)30-9-3/h11-14H,7-10H2,1-6H3/b25-24-.
What are the key properties of 3,4,5-triethoxy-N-(3-ethyl-4-methoxy-7-methyl-1,3-benzothiazol-2-ylidene)benzamide?
3,4,5-triethoxy-N-(3-ethyl-4-methoxy-7-methyl-1,3-benzothiazol-2-ylidene)benzamide has a molecular weight of 458.58 g/mol, XLogP of 4.98, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-triethoxy-N-(3-ethyl-4-methoxy-7-methyl-1,3-benzothiazol-2-ylidene)benzamide is sourced from PubChem (CID 40885456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).