N-(5,6-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide

C18H18N2O4S — CID 40509040

IUPACN-(5,6-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide
SMILESCOc1cc2s/c(=N\C(=O)COc3ccccc3)n(C)c2cc1OC
InChIInChI=1S/C18H18N2O4S/c1-20-13-9-14(22-2)15(23-3)10-16(13)25-18(20)19-17(21)11-24-12-7-5-4-6-8-12/h4-10H,11H2,1-3H3/b19-18-
InChIKeyQRVPVRIPDYWFRI-HNENSFHCSA-N
MW358.42 g/mol
LogP2.76
Rot. Bonds5

About N-(5,6-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide

N-(5,6-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide (PubChem CID 40509040) has the molecular formula C18H18N2O4S and a molecular weight of 358.42 g/mol. Its IUPAC name is N-(5,6-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide.

Molecular Properties

Compound NameN-(5,6-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide
PubChem CID40509040
Molecular FormulaC18H18N2O4S
Molecular Weight358.42 g/mol
Exact Mass358.10
IUPAC NameN-(5,6-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide
SMILESCOc1cc2s/c(=N\C(=O)COc3ccccc3)n(C)c2cc1OC
InChIInChI=1S/C18H18N2O4S/c1-20-13-9-14(22-2)15(23-3)10-16(13)25-18(20)19-17(21)11-24-12-7-5-4-6-8-12/h4-10H,11H2,1-3H3/b19-18-
InChIKeyQRVPVRIPDYWFRI-HNENSFHCSA-N
XLogP2.76
TPSA62.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide
CID 4098534
N-[3-(2-ethoxyethyl)-5,6-dimethoxy-1,3-benzothiazol-2-ylidene]-2-phenoxyacetamide
CID 40509046
N-(5,6-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-phenylacetamide
CID 40509023
N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide
CID 5121652
2-benzylsulfanyl-N-(5,6-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)acetamide
CID 42523536
2-(4-methylphenoxy)-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)acetamide
CID 43980196
2-naphthalen-2-yloxy-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)acetamide
CID 43980192
2-(4-chlorophenoxy)-N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)acetamide
CID 40508911
N-(5,6-dimethoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2-(3-methoxyphenoxy)acetamide
CID 43979566
methyl 2-[5,6-dimethoxy-2-[2-(3-methylphenoxy)acetyl]imino-1,3-benzothiazol-3-yl]acetate
CID 43979513
N-[3-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]-2-phenoxyacetamide
CID 4650559
methyl 2-[5,6-dimethoxy-2-[2-(2-methoxyphenoxy)acetyl]imino-1,3-benzothiazol-3-yl]acetate
CID 43979487

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide?
The IUPAC name of N-(5,6-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide (CID 40509040) is N-(5,6-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide.
What is the SMILES notation for N-(5,6-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide?
The canonical SMILES for N-(5,6-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide is COc1cc2s/c(=N\C(=O)COc3ccccc3)n(C)c2cc1OC.
What is the InChIKey of N-(5,6-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide?
The InChIKey is QRVPVRIPDYWFRI-HNENSFHCSA-N. The full InChI is InChI=1S/C18H18N2O4S/c1-20-13-9-14(22-2)15(23-3)10-16(13)25-18(20)19-17(21)11-24-12-7-5-4-6-8-12/h4-10H,11H2,1-3H3/b19-18-.
What are the key properties of N-(5,6-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide?
N-(5,6-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide has a molecular weight of 358.42 g/mol, XLogP of 2.76, 5 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-methyl-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide is sourced from PubChem (CID 40509040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).