N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)-2-thiophen-2-ylacetamide

C17H18N2O3S2 — CID 41340186

IUPACN-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)-2-thiophen-2-ylacetamide
SMILESCCn1/c(=N/C(=O)Cc2cccs2)sc2cc(OC)c(OC)cc21
InChIInChI=1S/C17H18N2O3S2/c1-4-19-12-9-13(21-2)14(22-3)10-15(12)24-17(19)18-16(20)8-11-6-5-7-23-11/h5-7,9-10H,4,8H2,1-3H3/b18-17-
InChIKeyZSFUWZKBSNJFLW-ZCXUNETKSA-N
MW362.48 g/mol
LogP3.47
Rot. Bonds5

About N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)-2-thiophen-2-ylacetamide

N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)-2-thiophen-2-ylacetamide (PubChem CID 41340186) has the molecular formula C17H18N2O3S2 and a molecular weight of 362.48 g/mol. Its IUPAC name is N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)-2-thiophen-2-ylacetamide
PubChem CID41340186
Molecular FormulaC17H18N2O3S2
Molecular Weight362.48 g/mol
Exact Mass362.08
IUPAC NameN-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)-2-thiophen-2-ylacetamide
SMILESCCn1/c(=N/C(=O)Cc2cccs2)sc2cc(OC)c(OC)cc21
InChIInChI=1S/C17H18N2O3S2/c1-4-19-12-9-13(21-2)14(22-3)10-15(12)24-17(19)18-16(20)8-11-6-5-7-23-11/h5-7,9-10H,4,8H2,1-3H3/b18-17-
InChIKeyZSFUWZKBSNJFLW-ZCXUNETKSA-N
XLogP3.47
TPSA52.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)-2-naphthalen-1-ylacetamide
CID 40951521
N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)-2-(4-propan-2-ylphenyl)acetamide
CID 41362843
N-(5,6-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-thiophen-2-ylacetamide
CID 41340182
methyl 2-[6-(2-thiophen-2-ylacetyl)imino-[1,3]dioxolo[4,5-f][1,3]benzothiazol-7-yl]acetate
CID 41340106
5-bromo-N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide
CID 41092228
2-(4-chlorophenoxy)-N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)acetamide
CID 40508911
2-bromo-N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)benzamide
CID 41092042
methyl 2-[6-propan-2-yl-2-(2-thiophen-2-ylacetyl)imino-1,3-benzothiazol-3-yl]acetate
CID 41340098
ethyl 3-(2-methoxyethyl)-2-(2-thiophen-2-ylacetyl)imino-1,3-benzothiazole-6-carboxylate
CID 41160531
N-(5,6-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide
CID 7244578
methyl 2-[5,6-dimethoxy-2-(2-phenylacetyl)imino-1,3-benzothiazol-3-yl]acetate
CID 40509024
2-(2,4-dichlorophenoxy)-N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)acetamide
CID 41092431

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)-2-thiophen-2-ylacetamide?
The IUPAC name of N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)-2-thiophen-2-ylacetamide (CID 41340186) is N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)-2-thiophen-2-ylacetamide?
The canonical SMILES for N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)-2-thiophen-2-ylacetamide is CCn1/c(=N/C(=O)Cc2cccs2)sc2cc(OC)c(OC)cc21.
What is the InChIKey of N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)-2-thiophen-2-ylacetamide?
The InChIKey is ZSFUWZKBSNJFLW-ZCXUNETKSA-N. The full InChI is InChI=1S/C17H18N2O3S2/c1-4-19-12-9-13(21-2)14(22-3)10-15(12)24-17(19)18-16(20)8-11-6-5-7-23-11/h5-7,9-10H,4,8H2,1-3H3/b18-17-.
What are the key properties of N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)-2-thiophen-2-ylacetamide?
N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)-2-thiophen-2-ylacetamide has a molecular weight of 362.48 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 41340186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).