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

C22H16N2OS2 — CID 16849393

IUPAC2-naphthalen-2-yl-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)acetamide
SMILESO=C(Cc1ccc2ccccc2c1)Nc1nc2c(s1)CSc1ccccc1-2
InChIInChI=1S/C22H16N2OS2/c25-20(12-14-9-10-15-5-1-2-6-16(15)11-14)23-22-24-21-17-7-3-4-8-18(17)26-13-19(21)27-22/h1-11H,12-13H2,(H,23,24,25)
InChIKeySHFNNOWUMQBWAO-UHFFFAOYSA-N
MW388.52 g/mol
LogP5.75
Rot. Bonds3

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

2-naphthalen-2-yl-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)acetamide (PubChem CID 16849393) has the molecular formula C22H16N2OS2 and a molecular weight of 388.52 g/mol. Its IUPAC name is 2-naphthalen-2-yl-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-naphthalen-2-yl-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)acetamide
PubChem CID16849393
Molecular FormulaC22H16N2OS2
Molecular Weight388.52 g/mol
Exact Mass388.07
IUPAC Name2-naphthalen-2-yl-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)acetamide
SMILESO=C(Cc1ccc2ccccc2c1)Nc1nc2c(s1)CSc1ccccc1-2
InChIInChI=1S/C22H16N2OS2/c25-20(12-14-9-10-15-5-1-2-6-16(15)11-14)23-22-24-21-17-7-3-4-8-18(17)26-13-19(21)27-22/h1-11H,12-13H2,(H,23,24,25)
InChIKeySHFNNOWUMQBWAO-UHFFFAOYSA-N
XLogP5.75
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.52
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)acetamide?
The IUPAC name of 2-naphthalen-2-yl-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)acetamide (CID 16849393) is 2-naphthalen-2-yl-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)acetamide.
What is the SMILES notation for 2-naphthalen-2-yl-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)acetamide?
The canonical SMILES for 2-naphthalen-2-yl-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)acetamide is O=C(Cc1ccc2ccccc2c1)Nc1nc2c(s1)CSc1ccccc1-2.
What is the InChIKey of 2-naphthalen-2-yl-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)acetamide?
The InChIKey is SHFNNOWUMQBWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2OS2/c25-20(12-14-9-10-15-5-1-2-6-16(15)11-14)23-22-24-21-17-7-3-4-8-18(17)26-13-19(21)27-22/h1-11H,12-13H2,(H,23,24,25).
What are the key properties of 2-naphthalen-2-yl-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)acetamide?
2-naphthalen-2-yl-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)acetamide has a molecular weight of 388.52 g/mol, XLogP of 5.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yl-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)acetamide is sourced from PubChem (CID 16849393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).