2-(2,4-dimethylphenyl)-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)acetamide

C20H18N2OS2 — CID 8670561

IUPAC2-(2,4-dimethylphenyl)-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)acetamide
SMILESCc1ccc(CC(=O)Nc2nc3c(s2)CSc2ccccc2-3)c(C)c1
InChIInChI=1S/C20H18N2OS2/c1-12-7-8-14(13(2)9-12)10-18(23)21-20-22-19-15-5-3-4-6-16(15)24-11-17(19)25-20/h3-9H,10-11H2,1-2H3,(H,21,22,23)
InChIKeyYETNSOALGFOSJA-UHFFFAOYSA-N
MW366.51 g/mol
LogP5.21
Rot. Bonds3

About 2-(2,4-dimethylphenyl)-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)acetamide

2-(2,4-dimethylphenyl)-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)acetamide (PubChem CID 8670561) has the molecular formula C20H18N2OS2 and a molecular weight of 366.51 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)acetamide
PubChem CID8670561
Molecular FormulaC20H18N2OS2
Molecular Weight366.51 g/mol
Exact Mass366.09
IUPAC Name2-(2,4-dimethylphenyl)-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)acetamide
SMILESCc1ccc(CC(=O)Nc2nc3c(s2)CSc2ccccc2-3)c(C)c1
InChIInChI=1S/C20H18N2OS2/c1-12-7-8-14(13(2)9-12)10-18(23)21-20-22-19-15-5-3-4-6-16(15)24-11-17(19)25-20/h3-9H,10-11H2,1-2H3,(H,21,22,23)
InChIKeyYETNSOALGFOSJA-UHFFFAOYSA-N
XLogP5.21
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.51
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-naphthalen-2-yl-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)acetamide
CID 16849393
3,5-dimethoxy-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)benzamide
CID 5060191
3-fluoro-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)benzamide
CID 3290409
N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2-(2,4-dimethylphenyl)acetamide
CID 7597039
3,4,5-trimethoxy-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)benzamide
CID 4279938
N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)-4-[4-(4H-thiochromeno[4,3-d][1,3]thiazol-2-ylcarbamoyl)phenoxy]benzamide
CID 5154304
N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)-1,2-oxazole-5-carboxamide
CID 18587269
N-(4,5-dichloro-1,3-benzothiazol-2-yl)-2-(2,4-dimethylphenyl)acetamide
CID 8670569
4-(diethylsulfamoyl)-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)benzamide
CID 4294898
2-methyl-4H-thiochromeno[4,3-d][1,3]thiazole
CID 130511764
2-(2,4-dimethylphenyl)-N-(2-methylphenyl)acetamide
CID 100747569
4-[methyl(phenyl)sulfamoyl]-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)benzamide
CID 3346908

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)acetamide?
The IUPAC name of 2-(2,4-dimethylphenyl)-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)acetamide (CID 8670561) is 2-(2,4-dimethylphenyl)-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)acetamide?
The canonical SMILES for 2-(2,4-dimethylphenyl)-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)acetamide is Cc1ccc(CC(=O)Nc2nc3c(s2)CSc2ccccc2-3)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)acetamide?
The InChIKey is YETNSOALGFOSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2OS2/c1-12-7-8-14(13(2)9-12)10-18(23)21-20-22-19-15-5-3-4-6-16(15)24-11-17(19)25-20/h3-9H,10-11H2,1-2H3,(H,21,22,23).
What are the key properties of 2-(2,4-dimethylphenyl)-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)acetamide?
2-(2,4-dimethylphenyl)-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)acetamide has a molecular weight of 366.51 g/mol, XLogP of 5.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)acetamide is sourced from PubChem (CID 8670561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).