2-(2-amino-5-phenyl-1,3-thiazol-4-yl)acetic acid;hydrobromide

C11H11BrN2O2S — CID 175338696

IUPAC2-(2-amino-5-phenyl-1,3-thiazol-4-yl)acetic acid;hydrobromide
SMILESBr.Nc1nc(CC(=O)O)c(-c2ccccc2)s1
InChIInChI=1S/C11H10N2O2S.BrH/c12-11-13-8(6-9(14)15)10(16-11)7-4-2-1-3-5-7;/h1-5H,6H2,(H2,12,13)(H,14,15);1H
InChIKeyNVSQFSQLZYEVNE-UHFFFAOYSA-N
MW315.19 g/mol
LogP2.60
Rot. Bonds3

About 2-(2-amino-5-phenyl-1,3-thiazol-4-yl)acetic acid;hydrobromide

2-(2-amino-5-phenyl-1,3-thiazol-4-yl)acetic acid;hydrobromide (PubChem CID 175338696) has the molecular formula C11H11BrN2O2S and a molecular weight of 315.19 g/mol. Its IUPAC name is 2-(2-amino-5-phenyl-1,3-thiazol-4-yl)acetic acid;hydrobromide.

Molecular Properties

Compound Name2-(2-amino-5-phenyl-1,3-thiazol-4-yl)acetic acid;hydrobromide
PubChem CID175338696
Molecular FormulaC11H11BrN2O2S
Molecular Weight315.19 g/mol
Exact Mass313.97
IUPAC Name2-(2-amino-5-phenyl-1,3-thiazol-4-yl)acetic acid;hydrobromide
SMILESBr.Nc1nc(CC(=O)O)c(-c2ccccc2)s1
InChIInChI=1S/C11H10N2O2S.BrH/c12-11-13-8(6-9(14)15)10(16-11)7-4-2-1-3-5-7;/h1-5H,6H2,(H2,12,13)(H,14,15);1H
InChIKeyNVSQFSQLZYEVNE-UHFFFAOYSA-N
XLogP2.60
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.19
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-phenyl-1,3-thiazol-4-yl)acetic acid;hydrobromide?
The IUPAC name of 2-(2-amino-5-phenyl-1,3-thiazol-4-yl)acetic acid;hydrobromide (CID 175338696) is 2-(2-amino-5-phenyl-1,3-thiazol-4-yl)acetic acid;hydrobromide.
What is the SMILES notation for 2-(2-amino-5-phenyl-1,3-thiazol-4-yl)acetic acid;hydrobromide?
The canonical SMILES for 2-(2-amino-5-phenyl-1,3-thiazol-4-yl)acetic acid;hydrobromide is Br.Nc1nc(CC(=O)O)c(-c2ccccc2)s1.
What is the InChIKey of 2-(2-amino-5-phenyl-1,3-thiazol-4-yl)acetic acid;hydrobromide?
The InChIKey is NVSQFSQLZYEVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2S.BrH/c12-11-13-8(6-9(14)15)10(16-11)7-4-2-1-3-5-7;/h1-5H,6H2,(H2,12,13)(H,14,15);1H.
What are the key properties of 2-(2-amino-5-phenyl-1,3-thiazol-4-yl)acetic acid;hydrobromide?
2-(2-amino-5-phenyl-1,3-thiazol-4-yl)acetic acid;hydrobromide has a molecular weight of 315.19 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-phenyl-1,3-thiazol-4-yl)acetic acid;hydrobromide is sourced from PubChem (CID 175338696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).