N-[5,6-dimethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-phenylbenzamide

C25H24N2O4S — CID 41007554

IUPACN-[5,6-dimethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-phenylbenzamide
SMILESCOCCn1/c(=N/C(=O)c2ccc(-c3ccccc3)cc2)sc2cc(OC)c(OC)cc21
InChIInChI=1S/C25H24N2O4S/c1-29-14-13-27-20-15-21(30-2)22(31-3)16-23(20)32-25(27)26-24(28)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h4-12,15-16H,13-14H2,1-3H3/b26-25-
InChIKeyZUSNELPJMBNJRC-QPLCGJKRSA-N
MW448.54 g/mol
LogP4.77
Rot. Bonds7

About N-[5,6-dimethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-phenylbenzamide

N-[5,6-dimethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-phenylbenzamide (PubChem CID 41007554) has the molecular formula C25H24N2O4S and a molecular weight of 448.54 g/mol. Its IUPAC name is N-[5,6-dimethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[5,6-dimethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-phenylbenzamide
PubChem CID41007554
Molecular FormulaC25H24N2O4S
Molecular Weight448.54 g/mol
Exact Mass448.15
IUPAC NameN-[5,6-dimethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-phenylbenzamide
SMILESCOCCn1/c(=N/C(=O)c2ccc(-c3ccccc3)cc2)sc2cc(OC)c(OC)cc21
InChIInChI=1S/C25H24N2O4S/c1-29-14-13-27-20-15-21(30-2)22(31-3)16-23(20)32-25(27)26-24(28)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h4-12,15-16H,13-14H2,1-3H3/b26-25-
InChIKeyZUSNELPJMBNJRC-QPLCGJKRSA-N
XLogP4.77
TPSA62.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.54
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]-4-phenylbenzamide
CID 3623281
4-benzyl-N-[3-(2-methoxyethyl)-5,6-dimethyl-1,3-benzothiazol-2-ylidene]benzamide
CID 43979889
N-[5,6-dimethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-(dipropylsulfamoyl)benzamide
CID 43979241
N-[5,6-dimethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-3-phenylprop-2-enamide
CID 74691431
4-benzyl-N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)benzamide
CID 43979330
4-methoxy-N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide
CID 3681659
N-[3-(2-ethoxyethyl)-5,6-dimethoxy-1,3-benzothiazol-2-ylidene]-4-methylsulfanylbenzamide
CID 40952062
2,5-dichloro-N-[5,6-dimethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]thiophene-3-carboxamide
CID 40951395
2-methoxy-N-[3-(2-methoxyethyl)-5,6-dimethyl-1,3-benzothiazol-2-ylidene]benzamide
CID 40697673
4-[bis(2-cyanoethyl)sulfamoyl]-N-[5,6-dimethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide
CID 43979248
4-benzyl-N-[3-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]benzamide
CID 4123898
N-(5,6-dimethoxy-3-propyl-1,3-benzothiazol-2-ylidene)-4-(dimethylamino)benzamide
CID 40697354

Frequently Asked Questions

What is the IUPAC name of N-[5,6-dimethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-phenylbenzamide?
The IUPAC name of N-[5,6-dimethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-phenylbenzamide (CID 41007554) is N-[5,6-dimethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-phenylbenzamide.
What is the SMILES notation for N-[5,6-dimethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-phenylbenzamide?
The canonical SMILES for N-[5,6-dimethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-phenylbenzamide is COCCn1/c(=N/C(=O)c2ccc(-c3ccccc3)cc2)sc2cc(OC)c(OC)cc21.
What is the InChIKey of N-[5,6-dimethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-phenylbenzamide?
The InChIKey is ZUSNELPJMBNJRC-QPLCGJKRSA-N. The full InChI is InChI=1S/C25H24N2O4S/c1-29-14-13-27-20-15-21(30-2)22(31-3)16-23(20)32-25(27)26-24(28)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h4-12,15-16H,13-14H2,1-3H3/b26-25-.
What are the key properties of N-[5,6-dimethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-phenylbenzamide?
N-[5,6-dimethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-phenylbenzamide has a molecular weight of 448.54 g/mol, XLogP of 4.77, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5,6-dimethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-phenylbenzamide is sourced from PubChem (CID 41007554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).