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

C7H9BrN2O4S — CID 20788300

IUPAC2-(2-amino-4-methoxycarbonyl-1,3-thiazol-5-yl)acetic acid;hydrobromide
SMILESBr.COC(=O)c1nc(N)sc1CC(=O)O
InChIInChI=1S/C7H8N2O4S.BrH/c1-13-6(12)5-3(2-4(10)11)14-7(8)9-5;/h2H2,1H3,(H2,8,9)(H,10,11);1H
InChIKeyIOHRBLAPZJZTBB-UHFFFAOYSA-N
MW297.13 g/mol
LogP0.72
Rot. Bonds3

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

2-(2-amino-4-methoxycarbonyl-1,3-thiazol-5-yl)acetic acid;hydrobromide (PubChem CID 20788300) has the molecular formula C7H9BrN2O4S and a molecular weight of 297.13 g/mol. Its IUPAC name is 2-(2-amino-4-methoxycarbonyl-1,3-thiazol-5-yl)acetic acid;hydrobromide.

Molecular Properties

Compound Name2-(2-amino-4-methoxycarbonyl-1,3-thiazol-5-yl)acetic acid;hydrobromide
PubChem CID20788300
Molecular FormulaC7H9BrN2O4S
Molecular Weight297.13 g/mol
Exact Mass295.95
IUPAC Name2-(2-amino-4-methoxycarbonyl-1,3-thiazol-5-yl)acetic acid;hydrobromide
SMILESBr.COC(=O)c1nc(N)sc1CC(=O)O
InChIInChI=1S/C7H8N2O4S.BrH/c1-13-6(12)5-3(2-4(10)11)14-7(8)9-5;/h2H2,1H3,(H2,8,9)(H,10,11);1H
InChIKeyIOHRBLAPZJZTBB-UHFFFAOYSA-N
XLogP0.72
TPSA102.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.13
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-methoxycarbonyl-1,3-thiazol-5-yl)acetic acid;hydrobromide?
The IUPAC name of 2-(2-amino-4-methoxycarbonyl-1,3-thiazol-5-yl)acetic acid;hydrobromide (CID 20788300) is 2-(2-amino-4-methoxycarbonyl-1,3-thiazol-5-yl)acetic acid;hydrobromide.
What is the SMILES notation for 2-(2-amino-4-methoxycarbonyl-1,3-thiazol-5-yl)acetic acid;hydrobromide?
The canonical SMILES for 2-(2-amino-4-methoxycarbonyl-1,3-thiazol-5-yl)acetic acid;hydrobromide is Br.COC(=O)c1nc(N)sc1CC(=O)O.
What is the InChIKey of 2-(2-amino-4-methoxycarbonyl-1,3-thiazol-5-yl)acetic acid;hydrobromide?
The InChIKey is IOHRBLAPZJZTBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O4S.BrH/c1-13-6(12)5-3(2-4(10)11)14-7(8)9-5;/h2H2,1H3,(H2,8,9)(H,10,11);1H.
What are the key properties of 2-(2-amino-4-methoxycarbonyl-1,3-thiazol-5-yl)acetic acid;hydrobromide?
2-(2-amino-4-methoxycarbonyl-1,3-thiazol-5-yl)acetic acid;hydrobromide has a molecular weight of 297.13 g/mol, XLogP of 0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-methoxycarbonyl-1,3-thiazol-5-yl)acetic acid;hydrobromide is sourced from PubChem (CID 20788300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).