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

C12H14Cl2N2S2 — CID 155822270

IUPAC1-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)ethanamine;dihydrochloride
SMILESCC(N)c1nc2c(s1)CSc1ccccc1-2.Cl.Cl
InChIInChI=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
InChIKeyNPYZGTIUBLTTAE-UHFFFAOYSA-N
MW321.30 g/mol
LogP4.28
Rot. Bonds1

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 Name1-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)ethanamine;dihydrochloride
PubChem CID155822270
Molecular FormulaC12H14Cl2N2S2
Molecular Weight321.30 g/mol
Exact Mass320.00
IUPAC Name1-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)ethanamine;dihydrochloride
SMILESCC(N)c1nc2c(s1)CSc1ccccc1-2.Cl.Cl
InChIInChI=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
InChIKeyNPYZGTIUBLTTAE-UHFFFAOYSA-N
XLogP4.28
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.30
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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).