N-[3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-2-(4-propan-2-ylphenyl)acetamide

C21H24N2OS2 — CID 41362865

IUPACN-[3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-2-(4-propan-2-ylphenyl)acetamide
SMILESCSCCn1/c(=N/C(=O)Cc2ccc(C(C)C)cc2)sc2ccccc21
InChIInChI=1S/C21H24N2OS2/c1-15(2)17-10-8-16(9-11-17)14-20(24)22-21-23(12-13-25-3)18-6-4-5-7-19(18)26-21/h4-11,15H,12-14H2,1-3H3/b22-21-
InChIKeyIGABUMSHYCCIHO-DQRAZIAOSA-N
MW384.57 g/mol
LogP4.86
Rot. Bonds6

About N-[3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-2-(4-propan-2-ylphenyl)acetamide

N-[3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-2-(4-propan-2-ylphenyl)acetamide (PubChem CID 41362865) has the molecular formula C21H24N2OS2 and a molecular weight of 384.57 g/mol. Its IUPAC name is N-[3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-2-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound NameN-[3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-2-(4-propan-2-ylphenyl)acetamide
PubChem CID41362865
Molecular FormulaC21H24N2OS2
Molecular Weight384.57 g/mol
Exact Mass384.13
IUPAC NameN-[3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-2-(4-propan-2-ylphenyl)acetamide
SMILESCSCCn1/c(=N/C(=O)Cc2ccc(C(C)C)cc2)sc2ccccc21
InChIInChI=1S/C21H24N2OS2/c1-15(2)17-10-8-16(9-11-17)14-20(24)22-21-23(12-13-25-3)18-6-4-5-7-19(18)26-21/h4-11,15H,12-14H2,1-3H3/b22-21-
InChIKeyIGABUMSHYCCIHO-DQRAZIAOSA-N
XLogP4.86
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.57
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(2-methylsulfanylethyl)-2-[2-(4-propan-2-ylphenyl)acetyl]imino-1,3-benzothiazole-6-carboxylate
CID 41362871
N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-(4-methylsulfanylphenyl)acetamide
CID 42525068
N-[6-methyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-2-phenylsulfanylacetamide
CID 41124834
N-[6-ethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-2-thiophen-2-ylacetamide
CID 41340232
methyl 2-[6-methylsulfanyl-2-[2-(4-propan-2-ylphenyl)acetyl]imino-1,3-benzothiazol-3-yl]acetate
CID 41362849
N-[3-(2-methoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-2-(4-propan-2-ylphenyl)acetamide
CID 41362645
methyl 3-(2-ethoxyethyl)-2-[2-(4-propan-2-ylphenyl)acetyl]imino-1,3-benzothiazole-6-carboxylate
CID 41362650
N-[3-(2-methylsulfanylethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-2-(4-methylsulfonylphenyl)acetamide
CID 42522910
N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-naphthalen-2-ylacetamide
CID 16849298
N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)-2-(4-propan-2-ylphenyl)acetamide
CID 41362843
methyl 2-[6-chloro-2-[2-(4-propan-2-ylphenyl)acetyl]imino-1,3-benzothiazol-3-yl]acetate
CID 41362671
N-[6-chloro-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-2-thiophen-2-ylacetamide
CID 41340227

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-2-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of N-[3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-2-(4-propan-2-ylphenyl)acetamide (CID 41362865) is N-[3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-2-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for N-[3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-2-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for N-[3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-2-(4-propan-2-ylphenyl)acetamide is CSCCn1/c(=N/C(=O)Cc2ccc(C(C)C)cc2)sc2ccccc21.
What is the InChIKey of N-[3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-2-(4-propan-2-ylphenyl)acetamide?
The InChIKey is IGABUMSHYCCIHO-DQRAZIAOSA-N. The full InChI is InChI=1S/C21H24N2OS2/c1-15(2)17-10-8-16(9-11-17)14-20(24)22-21-23(12-13-25-3)18-6-4-5-7-19(18)26-21/h4-11,15H,12-14H2,1-3H3/b22-21-.
What are the key properties of N-[3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-2-(4-propan-2-ylphenyl)acetamide?
N-[3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-2-(4-propan-2-ylphenyl)acetamide has a molecular weight of 384.57 g/mol, XLogP of 4.86, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-2-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 41362865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).