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

C11H13BrN2S — CID 127046714

IUPAC2-(4-phenyl-1,3-thiazol-2-yl)ethanamine;hydrobromide
SMILESBr.NCCc1nc(-c2ccccc2)cs1
InChIInChI=1S/C11H12N2S.BrH/c12-7-6-11-13-10(8-14-11)9-4-2-1-3-5-9;/h1-5,8H,6-7,12H2;1H
InChIKeyPFTLSVFUUZDBJC-UHFFFAOYSA-N
MW285.21 g/mol
LogP2.89
Rot. Bonds3

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

2-(4-phenyl-1,3-thiazol-2-yl)ethanamine;hydrobromide (PubChem CID 127046714) has the molecular formula C11H13BrN2S and a molecular weight of 285.21 g/mol. Its IUPAC name is 2-(4-phenyl-1,3-thiazol-2-yl)ethanamine;hydrobromide.

Molecular Properties

Compound Name2-(4-phenyl-1,3-thiazol-2-yl)ethanamine;hydrobromide
PubChem CID127046714
Molecular FormulaC11H13BrN2S
Molecular Weight285.21 g/mol
Exact Mass284.00
IUPAC Name2-(4-phenyl-1,3-thiazol-2-yl)ethanamine;hydrobromide
SMILESBr.NCCc1nc(-c2ccccc2)cs1
InChIInChI=1S/C11H12N2S.BrH/c12-7-6-11-13-10(8-14-11)9-4-2-1-3-5-9;/h1-5,8H,6-7,12H2;1H
InChIKeyPFTLSVFUUZDBJC-UHFFFAOYSA-N
XLogP2.89
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.21
LogP ≤ 52.89
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;hydrobromide?
The IUPAC name of 2-(4-phenyl-1,3-thiazol-2-yl)ethanamine;hydrobromide (CID 127046714) is 2-(4-phenyl-1,3-thiazol-2-yl)ethanamine;hydrobromide.
What is the SMILES notation for 2-(4-phenyl-1,3-thiazol-2-yl)ethanamine;hydrobromide?
The canonical SMILES for 2-(4-phenyl-1,3-thiazol-2-yl)ethanamine;hydrobromide is Br.NCCc1nc(-c2ccccc2)cs1.
What is the InChIKey of 2-(4-phenyl-1,3-thiazol-2-yl)ethanamine;hydrobromide?
The InChIKey is PFTLSVFUUZDBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2S.BrH/c12-7-6-11-13-10(8-14-11)9-4-2-1-3-5-9;/h1-5,8H,6-7,12H2;1H.
What are the key properties of 2-(4-phenyl-1,3-thiazol-2-yl)ethanamine;hydrobromide?
2-(4-phenyl-1,3-thiazol-2-yl)ethanamine;hydrobromide has a molecular weight of 285.21 g/mol, XLogP of 2.89, 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;hydrobromide is sourced from PubChem (CID 127046714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).