2-(4-methylsulfanylphenyl)-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)acetamide

C19H20N2OS2 — CID 8700884

IUPAC2-(4-methylsulfanylphenyl)-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)acetamide
SMILESCSc1ccc(CC(=O)Nc2nc3ccc(C(C)C)cc3s2)cc1
InChIInChI=1S/C19H20N2OS2/c1-12(2)14-6-9-16-17(11-14)24-19(20-16)21-18(22)10-13-4-7-15(23-3)8-5-13/h4-9,11-12H,10H2,1-3H3,(H,20,21,22)
InChIKeyAUHMNKWMJILSML-UHFFFAOYSA-N
MW356.52 g/mol
LogP5.32
Rot. Bonds5

About 2-(4-methylsulfanylphenyl)-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)acetamide

2-(4-methylsulfanylphenyl)-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)acetamide (PubChem CID 8700884) has the molecular formula C19H20N2OS2 and a molecular weight of 356.52 g/mol. Its IUPAC name is 2-(4-methylsulfanylphenyl)-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-methylsulfanylphenyl)-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)acetamide
PubChem CID8700884
Molecular FormulaC19H20N2OS2
Molecular Weight356.52 g/mol
Exact Mass356.10
IUPAC Name2-(4-methylsulfanylphenyl)-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)acetamide
SMILESCSc1ccc(CC(=O)Nc2nc3ccc(C(C)C)cc3s2)cc1
InChIInChI=1S/C19H20N2OS2/c1-12(2)14-6-9-16-17(11-14)24-19(20-16)21-18(22)10-13-4-7-15(23-3)8-5-13/h4-9,11-12H,10H2,1-3H3,(H,20,21,22)
InChIKeyAUHMNKWMJILSML-UHFFFAOYSA-N
XLogP5.32
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.52
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-propan-2-yl-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 16838062
3,3-diphenyl-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)propanamide
CID 43989546
ethyl 2-[[2-(4-propan-2-ylphenyl)acetyl]amino]-1,3-benzothiazole-6-carboxylate
CID 41362512
N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)propanamide
CID 7615110
N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-2-(4-propan-2-ylphenyl)acetamide
CID 41362715
2-(2,4-dimethylphenyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)acetamide
CID 7615157
N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide
CID 41340187
2-(1,3-dioxoisoindol-2-yl)-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)acetamide
CID 7202868
2-(4-methoxyphenyl)sulfanyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)acetamide
CID 41320931
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)acetamide
CID 2109067
N-(4-chloro-1,3-benzothiazol-2-yl)-2-(4-methylsulfanylphenyl)acetamide
CID 18586778
4-tert-butyl-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
CID 41235419

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfanylphenyl)-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-(4-methylsulfanylphenyl)-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)acetamide (CID 8700884) is 2-(4-methylsulfanylphenyl)-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-methylsulfanylphenyl)-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-methylsulfanylphenyl)-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)acetamide is CSc1ccc(CC(=O)Nc2nc3ccc(C(C)C)cc3s2)cc1.
What is the InChIKey of 2-(4-methylsulfanylphenyl)-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is AUHMNKWMJILSML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2OS2/c1-12(2)14-6-9-16-17(11-14)24-19(20-16)21-18(22)10-13-4-7-15(23-3)8-5-13/h4-9,11-12H,10H2,1-3H3,(H,20,21,22).
What are the key properties of 2-(4-methylsulfanylphenyl)-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)acetamide?
2-(4-methylsulfanylphenyl)-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 356.52 g/mol, XLogP of 5.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfanylphenyl)-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 8700884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).