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

C20H22N2O2S — CID 16912424

IUPACN-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)-2-(3-methoxyphenyl)acetamide
SMILESCCn1/c(=N/C(=O)Cc2cccc(OC)c2)sc2c(C)cc(C)cc21
InChIInChI=1S/C20H22N2O2S/c1-5-22-17-10-13(2)9-14(3)19(17)25-20(22)21-18(23)12-15-7-6-8-16(11-15)24-4/h6-11H,5,12H2,1-4H3/b21-20-
InChIKeyWEGOMJWFSDDSFA-MRCUWXFGSA-N
MW354.48 g/mol
LogP4.02
Rot. Bonds4

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

N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)-2-(3-methoxyphenyl)acetamide (PubChem CID 16912424) has the molecular formula C20H22N2O2S and a molecular weight of 354.48 g/mol. Its IUPAC name is N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)-2-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)-2-(3-methoxyphenyl)acetamide
PubChem CID16912424
Molecular FormulaC20H22N2O2S
Molecular Weight354.48 g/mol
Exact Mass354.14
IUPAC NameN-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)-2-(3-methoxyphenyl)acetamide
SMILESCCn1/c(=N/C(=O)Cc2cccc(OC)c2)sc2c(C)cc(C)cc21
InChIInChI=1S/C20H22N2O2S/c1-5-22-17-10-13(2)9-14(3)19(17)25-20(22)21-18(23)12-15-7-6-8-16(11-15)24-4/h6-11H,5,12H2,1-4H3/b21-20-
InChIKeyWEGOMJWFSDDSFA-MRCUWXFGSA-N
XLogP4.02
TPSA43.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)-2-(3-methoxyphenyl)acetamide?
The IUPAC name of N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)-2-(3-methoxyphenyl)acetamide (CID 16912424) is N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)-2-(3-methoxyphenyl)acetamide.
What is the SMILES notation for N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)-2-(3-methoxyphenyl)acetamide?
The canonical SMILES for N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)-2-(3-methoxyphenyl)acetamide is CCn1/c(=N/C(=O)Cc2cccc(OC)c2)sc2c(C)cc(C)cc21.
What is the InChIKey of N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)-2-(3-methoxyphenyl)acetamide?
The InChIKey is WEGOMJWFSDDSFA-MRCUWXFGSA-N. The full InChI is InChI=1S/C20H22N2O2S/c1-5-22-17-10-13(2)9-14(3)19(17)25-20(22)21-18(23)12-15-7-6-8-16(11-15)24-4/h6-11H,5,12H2,1-4H3/b21-20-.
What are the key properties of N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)-2-(3-methoxyphenyl)acetamide?
N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)-2-(3-methoxyphenyl)acetamide has a molecular weight of 354.48 g/mol, XLogP of 4.02, 4 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)-2-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 16912424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).