N-[6-ethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-2-thiophen-2-ylacetamide

C18H20N2OS3 — CID 41340232

IUPACN-[6-ethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-2-thiophen-2-ylacetamide
SMILESCCc1ccc2c(c1)s/c(=N\C(=O)Cc1cccs1)n2CCSC
InChIInChI=1S/C18H20N2OS3/c1-3-13-6-7-15-16(11-13)24-18(20(15)8-10-22-2)19-17(21)12-14-5-4-9-23-14/h4-7,9,11H,3,8,10,12H2,1-2H3/b19-18-
InChIKeyBGAWJNMFWPBWLH-HNENSFHCSA-N
MW376.57 g/mol
LogP4.36
Rot. Bonds6

About N-[6-ethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-2-thiophen-2-ylacetamide

N-[6-ethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-2-thiophen-2-ylacetamide (PubChem CID 41340232) has the molecular formula C18H20N2OS3 and a molecular weight of 376.57 g/mol. Its IUPAC name is N-[6-ethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[6-ethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-2-thiophen-2-ylacetamide
PubChem CID41340232
Molecular FormulaC18H20N2OS3
Molecular Weight376.57 g/mol
Exact Mass376.07
IUPAC NameN-[6-ethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-2-thiophen-2-ylacetamide
SMILESCCc1ccc2c(c1)s/c(=N\C(=O)Cc1cccs1)n2CCSC
InChIInChI=1S/C18H20N2OS3/c1-3-13-6-7-15-16(11-13)24-18(20(15)8-10-22-2)19-17(21)12-14-5-4-9-23-14/h4-7,9,11H,3,8,10,12H2,1-2H3/b19-18-
InChIKeyBGAWJNMFWPBWLH-HNENSFHCSA-N
XLogP4.36
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.57
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-chloro-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-2-thiophen-2-ylacetamide
CID 41340227
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]-3-(4-methylphenyl)sulfanylpropanamide
CID 30680409
ethyl 3-(2-methoxyethyl)-2-(2-thiophen-2-ylacetyl)imino-1,3-benzothiazole-6-carboxylate
CID 41160531
N-[6-ethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-4-methylsulfonylbenzamide
CID 41125068
methyl 3-(2-methylsulfanylethyl)-2-[2-(4-propan-2-ylphenyl)acetyl]imino-1,3-benzothiazole-6-carboxylate
CID 41362871
N-(4-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-2-thiophen-2-ylacetamide
CID 41340076
N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)-2-thiophen-2-ylacetamide
CID 41340186
N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-2-phenylacetamide
CID 40694545
(E)-N-[6-bromo-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3-thiophen-2-ylprop-2-enamide
CID 41124625
ethyl 3-prop-2-enyl-2-(2-thiophen-2-ylacetyl)imino-1,3-benzothiazole-6-carboxylate
CID 41160540
N-[3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-2-(4-propan-2-ylphenyl)acetamide
CID 41362865

Frequently Asked Questions

What is the IUPAC name of N-[6-ethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[6-ethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-2-thiophen-2-ylacetamide (CID 41340232) is N-[6-ethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[6-ethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[6-ethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-2-thiophen-2-ylacetamide is CCc1ccc2c(c1)s/c(=N\C(=O)Cc1cccs1)n2CCSC.
What is the InChIKey of N-[6-ethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-2-thiophen-2-ylacetamide?
The InChIKey is BGAWJNMFWPBWLH-HNENSFHCSA-N. The full InChI is InChI=1S/C18H20N2OS3/c1-3-13-6-7-15-16(11-13)24-18(20(15)8-10-22-2)19-17(21)12-14-5-4-9-23-14/h4-7,9,11H,3,8,10,12H2,1-2H3/b19-18-.
What are the key properties of N-[6-ethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-2-thiophen-2-ylacetamide?
N-[6-ethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-2-thiophen-2-ylacetamide has a molecular weight of 376.57 g/mol, XLogP of 4.36, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-ethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 41340232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).