2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethanamine;dihydrochloride

C12H16Cl2N2S — CID 54595017

IUPAC2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethanamine;dihydrochloride
SMILESCc1sc(CCN)nc1-c1ccccc1.Cl.Cl
InChIInChI=1S/C12H14N2S.2ClH/c1-9-12(10-5-3-2-4-6-10)14-11(15-9)7-8-13;;/h2-6H,7-8,13H2,1H3;2*1H
InChIKeyYGAJDBVTOJCTFQ-UHFFFAOYSA-N
MW291.25 g/mol
LogP3.46
Rot. Bonds3

About 2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethanamine;dihydrochloride

2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethanamine;dihydrochloride (PubChem CID 54595017) has the molecular formula C12H16Cl2N2S and a molecular weight of 291.25 g/mol. Its IUPAC name is 2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethanamine;dihydrochloride.

Molecular Properties

Compound Name2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethanamine;dihydrochloride
PubChem CID54595017
Molecular FormulaC12H16Cl2N2S
Molecular Weight291.25 g/mol
Exact Mass290.04
IUPAC Name2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethanamine;dihydrochloride
SMILESCc1sc(CCN)nc1-c1ccccc1.Cl.Cl
InChIInChI=1S/C12H14N2S.2ClH/c1-9-12(10-5-3-2-4-6-10)14-11(15-9)7-8-13;;/h2-6H,7-8,13H2,1H3;2*1H
InChIKeyYGAJDBVTOJCTFQ-UHFFFAOYSA-N
XLogP3.46
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.25
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethanamine;dihydrochloride?
The IUPAC name of 2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethanamine;dihydrochloride (CID 54595017) is 2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethanamine;dihydrochloride.
What is the SMILES notation for 2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethanamine;dihydrochloride?
The canonical SMILES for 2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethanamine;dihydrochloride is Cc1sc(CCN)nc1-c1ccccc1.Cl.Cl.
What is the InChIKey of 2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethanamine;dihydrochloride?
The InChIKey is YGAJDBVTOJCTFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2S.2ClH/c1-9-12(10-5-3-2-4-6-10)14-11(15-9)7-8-13;;/h2-6H,7-8,13H2,1H3;2*1H.
What are the key properties of 2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethanamine;dihydrochloride?
2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethanamine;dihydrochloride has a molecular weight of 291.25 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethanamine;dihydrochloride is sourced from PubChem (CID 54595017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).