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

C11H14Cl2N2S — CID 118514486

IUPAC2-(4-phenyl-1,3-thiazol-2-yl)ethanamine;dihydrochloride
SMILESCl.Cl.NCCc1nc(-c2ccccc2)cs1
InChIInChI=1S/C11H12N2S.2ClH/c12-7-6-11-13-10(8-14-11)9-4-2-1-3-5-9;;/h1-5,8H,6-7,12H2;2*1H
InChIKeyKTSAOJMBLRDEEY-UHFFFAOYSA-N
MW277.22 g/mol
LogP3.15
Rot. Bonds3

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

2-(4-phenyl-1,3-thiazol-2-yl)ethanamine;dihydrochloride (PubChem CID 118514486) has the molecular formula C11H14Cl2N2S and a molecular weight of 277.22 g/mol. Its IUPAC name is 2-(4-phenyl-1,3-thiazol-2-yl)ethanamine;dihydrochloride.

Molecular Properties

Compound Name2-(4-phenyl-1,3-thiazol-2-yl)ethanamine;dihydrochloride
PubChem CID118514486
Molecular FormulaC11H14Cl2N2S
Molecular Weight277.22 g/mol
Exact Mass276.03
IUPAC Name2-(4-phenyl-1,3-thiazol-2-yl)ethanamine;dihydrochloride
SMILESCl.Cl.NCCc1nc(-c2ccccc2)cs1
InChIInChI=1S/C11H12N2S.2ClH/c12-7-6-11-13-10(8-14-11)9-4-2-1-3-5-9;;/h1-5,8H,6-7,12H2;2*1H
InChIKeyKTSAOJMBLRDEEY-UHFFFAOYSA-N
XLogP3.15
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.22
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-phenyl-1,3-thiazol-2-yl)ethanamine;dihydrochloride?
The IUPAC name of 2-(4-phenyl-1,3-thiazol-2-yl)ethanamine;dihydrochloride (CID 118514486) is 2-(4-phenyl-1,3-thiazol-2-yl)ethanamine;dihydrochloride.
What is the SMILES notation for 2-(4-phenyl-1,3-thiazol-2-yl)ethanamine;dihydrochloride?
The canonical SMILES for 2-(4-phenyl-1,3-thiazol-2-yl)ethanamine;dihydrochloride is Cl.Cl.NCCc1nc(-c2ccccc2)cs1.
What is the InChIKey of 2-(4-phenyl-1,3-thiazol-2-yl)ethanamine;dihydrochloride?
The InChIKey is KTSAOJMBLRDEEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2S.2ClH/c12-7-6-11-13-10(8-14-11)9-4-2-1-3-5-9;;/h1-5,8H,6-7,12H2;2*1H.
What are the key properties of 2-(4-phenyl-1,3-thiazol-2-yl)ethanamine;dihydrochloride?
2-(4-phenyl-1,3-thiazol-2-yl)ethanamine;dihydrochloride has a molecular weight of 277.22 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenyl-1,3-thiazol-2-yl)ethanamine;dihydrochloride is sourced from PubChem (CID 118514486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).