N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-(4-methylsulfanylphenyl)acetamide

C18H18N2O2S2 — CID 42525037

IUPACN-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-(4-methylsulfanylphenyl)acetamide
SMILESCOc1cccc2s/c(=N\C(=O)Cc3ccc(SC)cc3)n(C)c12
InChIInChI=1S/C18H18N2O2S2/c1-20-17-14(22-2)5-4-6-15(17)24-18(20)19-16(21)11-12-7-9-13(23-3)10-8-12/h4-10H,11H2,1-3H3/b19-18-
InChIKeyVFLNBWPLBSZYRW-HNENSFHCSA-N
MW358.49 g/mol
LogP3.64
Rot. Bonds4

About N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-(4-methylsulfanylphenyl)acetamide

N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-(4-methylsulfanylphenyl)acetamide (PubChem CID 42525037) has the molecular formula C18H18N2O2S2 and a molecular weight of 358.49 g/mol. Its IUPAC name is N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-(4-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound NameN-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-(4-methylsulfanylphenyl)acetamide
PubChem CID42525037
Molecular FormulaC18H18N2O2S2
Molecular Weight358.49 g/mol
Exact Mass358.08
IUPAC NameN-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-(4-methylsulfanylphenyl)acetamide
SMILESCOc1cccc2s/c(=N\C(=O)Cc3ccc(SC)cc3)n(C)c12
InChIInChI=1S/C18H18N2O2S2/c1-20-17-14(22-2)5-4-6-15(17)24-18(20)19-16(21)11-12-7-9-13(23-3)10-8-12/h4-10H,11H2,1-3H3/b19-18-
InChIKeyVFLNBWPLBSZYRW-HNENSFHCSA-N
XLogP3.64
TPSA43.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-2-(4-methylsulfanylphenyl)acetamide
CID 42525114
N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)-2-(4-methoxyphenyl)acetamide
CID 40700280
N-(3-ethyl-4,7-dimethoxy-1,3-benzothiazol-2-ylidene)-2-(4-methylsulfanylphenyl)acetamide
CID 42525058
3-(4-fluorophenyl)sulfonyl-N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)propanamide
CID 18573209
N-[4,7-dimethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-(4-methylsulfanylphenyl)acetamide
CID 42525066
N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-(4-methylsulfanylphenyl)acetamide
CID 42525068
4-benzyl-N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 4067124
N-[5,6-dimethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-(4-methylsulfanylphenyl)acetamide
CID 42525126
N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 4051036
N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)-2-(4-methoxy-3-methylphenyl)acetamide
CID 16848266
N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide
CID 3316524
N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-2-(3-methoxyphenyl)acetamide
CID 16912526

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-(4-methylsulfanylphenyl)acetamide?
The IUPAC name of N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-(4-methylsulfanylphenyl)acetamide (CID 42525037) is N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-(4-methylsulfanylphenyl)acetamide.
What is the SMILES notation for N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-(4-methylsulfanylphenyl)acetamide?
The canonical SMILES for N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-(4-methylsulfanylphenyl)acetamide is COc1cccc2s/c(=N\C(=O)Cc3ccc(SC)cc3)n(C)c12.
What is the InChIKey of N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-(4-methylsulfanylphenyl)acetamide?
The InChIKey is VFLNBWPLBSZYRW-HNENSFHCSA-N. The full InChI is InChI=1S/C18H18N2O2S2/c1-20-17-14(22-2)5-4-6-15(17)24-18(20)19-16(21)11-12-7-9-13(23-3)10-8-12/h4-10H,11H2,1-3H3/b19-18-.
What are the key properties of N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-(4-methylsulfanylphenyl)acetamide?
N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-(4-methylsulfanylphenyl)acetamide has a molecular weight of 358.49 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-(4-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 42525037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).