N-(4-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-2-thiophen-2-ylacetamide

C16H16N2OS2 — CID 41340076

IUPACN-(4-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-2-thiophen-2-ylacetamide
SMILESCCc1cccc2s/c(=N\C(=O)Cc3cccs3)n(C)c12
InChIInChI=1S/C16H16N2OS2/c1-3-11-6-4-8-13-15(11)18(2)16(21-13)17-14(19)10-12-7-5-9-20-12/h4-9H,3,10H2,1-2H3/b17-16-
InChIKeyMSJGQDOPIIMLFB-MSUUIHNZSA-N
MW316.45 g/mol
LogP3.53
Rot. Bonds3

About N-(4-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-2-thiophen-2-ylacetamide

N-(4-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-2-thiophen-2-ylacetamide (PubChem CID 41340076) has the molecular formula C16H16N2OS2 and a molecular weight of 316.45 g/mol. Its IUPAC name is N-(4-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-(4-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-2-thiophen-2-ylacetamide
PubChem CID41340076
Molecular FormulaC16H16N2OS2
Molecular Weight316.45 g/mol
Exact Mass316.07
IUPAC NameN-(4-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-2-thiophen-2-ylacetamide
SMILESCCc1cccc2s/c(=N\C(=O)Cc3cccs3)n(C)c12
InChIInChI=1S/C16H16N2OS2/c1-3-11-6-4-8-13-15(11)18(2)16(21-13)17-14(19)10-12-7-5-9-20-12/h4-9H,3,10H2,1-2H3/b17-16-
InChIKeyMSJGQDOPIIMLFB-MSUUIHNZSA-N
XLogP3.53
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)-2-thiophen-2-ylacetamide
CID 41340089
N-[6-ethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-2-thiophen-2-ylacetamide
CID 41340232
N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)-2-thiophen-2-ylacetamide
CID 41340186
N-(4-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-7-methoxy-1-benzofuran-2-carboxamide
CID 40889674
N-[6-chloro-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-2-thiophen-2-ylacetamide
CID 41340227
N-(4-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 41235566
N-(5,6-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-thiophen-2-ylacetamide
CID 41340182
2-(1,3-benzodioxol-5-yl)-N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)acetamide
CID 41107950
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
ethyl 3-(2-methoxyethyl)-2-(2-thiophen-2-ylacetyl)imino-1,3-benzothiazole-6-carboxylate
CID 41160531
N-(4-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-3-thiophen-2-ylprop-2-enamide
CID 4157826

Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-2-thiophen-2-ylacetamide?
The IUPAC name of N-(4-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-2-thiophen-2-ylacetamide (CID 41340076) is N-(4-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-(4-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-2-thiophen-2-ylacetamide?
The canonical SMILES for N-(4-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-2-thiophen-2-ylacetamide is CCc1cccc2s/c(=N\C(=O)Cc3cccs3)n(C)c12.
What is the InChIKey of N-(4-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-2-thiophen-2-ylacetamide?
The InChIKey is MSJGQDOPIIMLFB-MSUUIHNZSA-N. The full InChI is InChI=1S/C16H16N2OS2/c1-3-11-6-4-8-13-15(11)18(2)16(21-13)17-14(19)10-12-7-5-9-20-12/h4-9H,3,10H2,1-2H3/b17-16-.
What are the key properties of N-(4-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-2-thiophen-2-ylacetamide?
N-(4-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-2-thiophen-2-ylacetamide has a molecular weight of 316.45 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 41340076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).