(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine;dihydrochloride

C12H16Cl2N2S — CID 154577654

IUPAC(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine;dihydrochloride
SMILESCc1ncsc1-c1ccc([C@H](C)N)cc1.Cl.Cl
InChIInChI=1S/C12H14N2S.2ClH/c1-8(13)10-3-5-11(6-4-10)12-9(2)14-7-15-12;;/h3-8H,13H2,1-2H3;2*1H/t8-;;/m0../s1
InChIKeyNWIMPCHBIZHFHO-JZGIKJSDSA-N
MW291.25 g/mol
LogP3.98
Rot. Bonds2

About (1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine;dihydrochloride

(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine;dihydrochloride (PubChem CID 154577654) has the molecular formula C12H16Cl2N2S and a molecular weight of 291.25 g/mol. Its IUPAC name is (1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine;dihydrochloride.

Molecular Properties

Compound Name(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine;dihydrochloride
PubChem CID154577654
Molecular FormulaC12H16Cl2N2S
Molecular Weight291.25 g/mol
Exact Mass290.04
IUPAC Name(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine;dihydrochloride
SMILESCc1ncsc1-c1ccc([C@H](C)N)cc1.Cl.Cl
InChIInChI=1S/C12H14N2S.2ClH/c1-8(13)10-3-5-11(6-4-10)12-9(2)14-7-15-12;;/h3-8H,13H2,1-2H3;2*1H/t8-;;/m0../s1
InChIKeyNWIMPCHBIZHFHO-JZGIKJSDSA-N
XLogP3.98
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.25
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine;dihydrochloride?
The IUPAC name of (1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine;dihydrochloride (CID 154577654) is (1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine;dihydrochloride.
What is the SMILES notation for (1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine;dihydrochloride?
The canonical SMILES for (1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine;dihydrochloride is Cc1ncsc1-c1ccc([C@H](C)N)cc1.Cl.Cl.
What is the InChIKey of (1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine;dihydrochloride?
The InChIKey is NWIMPCHBIZHFHO-JZGIKJSDSA-N. The full InChI is InChI=1S/C12H14N2S.2ClH/c1-8(13)10-3-5-11(6-4-10)12-9(2)14-7-15-12;;/h3-8H,13H2,1-2H3;2*1H/t8-;;/m0../s1.
What are the key properties of (1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine;dihydrochloride?
(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine;dihydrochloride has a molecular weight of 291.25 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine;dihydrochloride is sourced from PubChem (CID 154577654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).