1-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)ethanamine;dihydrochloride

C₁₂H₁₄Cl₂N₂S₂ — CID 155822270

About 1-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)ethanamine;dihydrochloride

1-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)ethanamine;dihydrochloride (PubChem CID 155822270) has the molecular formula C₁₂H₁₄Cl₂N₂S₂ and a molecular weight of 321.30 g/mol. Its IUPAC name is 1-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)ethanamine;dihydrochloride.

Molecular Properties

• Compound Name: 1-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)ethanamine;dihydrochloride
• PubChem CID: 155822270
• Molecular Formula: C₁₂H₁₄Cl₂N₂S₂
• Molecular Weight: 321.30 g/mol
• Exact Mass: 320.00
• IUPAC Name: 1-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)ethanamine;dihydrochloride
• SMILES: CC(N)c1nc2c(s1)CSc1ccccc1-2.Cl.Cl
• InChI: InChI=1S/C12H12N2S2.2ClH/c1-7(13)12-14-11-8-4-2-3-5-9(8)15-6-10(11)16-12;;/h2-5,7H,6,13H2,1H3;2*1H
• InChIKey: NPYZGTIUBLTTAE-UHFFFAOYSA-N
• XLogP: 4.28
• TPSA: 38.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 1
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	321.30
LogP ≤ 5	4.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)ethanamine;dihydrochloride?

The IUPAC name of 1-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)ethanamine;dihydrochloride (CID 155822270) is 1-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)ethanamine;dihydrochloride.

What is the SMILES notation for 1-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)ethanamine;dihydrochloride?

The canonical SMILES for 1-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)ethanamine;dihydrochloride is CC(N)c1nc2c(s1)CSc1ccccc1-2.Cl.Cl.

What is the InChIKey of 1-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)ethanamine;dihydrochloride?

The InChIKey is NPYZGTIUBLTTAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2S2.2ClH/c1-7(13)12-14-11-8-4-2-3-5-9(8)15-6-10(11)16-12;;/h2-5,7H,6,13H2,1H3;2*1H.

What are the key properties of 1-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)ethanamine;dihydrochloride?

1-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)ethanamine;dihydrochloride has a molecular weight of 321.30 g/mol, XLogP of 4.28, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)ethanamine;dihydrochloride is sourced from PubChem (CID 155822270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155822270 — identifiers, structure, computed properties (public domain)

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