methyl 2-(2H-1,3-thiazol-3-yl)acetate;hydrobromide

C6H10BrNO2S — CID 173084083

IUPACmethyl 2-(2H-1,3-thiazol-3-yl)acetate;hydrobromide
SMILESBr.COC(=O)CN1C=CSC1
InChIInChI=1S/C6H9NO2S.BrH/c1-9-6(8)4-7-2-3-10-5-7;/h2-3H,4-5H2,1H3;1H
InChIKeyGLKWLRNHCMWDHJ-UHFFFAOYSA-N
MW240.12 g/mol
LogP1.21
Rot. Bonds2

About methyl 2-(2H-1,3-thiazol-3-yl)acetate;hydrobromide

methyl 2-(2H-1,3-thiazol-3-yl)acetate;hydrobromide (PubChem CID 173084083) has the molecular formula C6H10BrNO2S and a molecular weight of 240.12 g/mol. Its IUPAC name is methyl 2-(2H-1,3-thiazol-3-yl)acetate;hydrobromide.

Molecular Properties

Compound Namemethyl 2-(2H-1,3-thiazol-3-yl)acetate;hydrobromide
PubChem CID173084083
Molecular FormulaC6H10BrNO2S
Molecular Weight240.12 g/mol
Exact Mass238.96
IUPAC Namemethyl 2-(2H-1,3-thiazol-3-yl)acetate;hydrobromide
SMILESBr.COC(=O)CN1C=CSC1
InChIInChI=1S/C6H9NO2S.BrH/c1-9-6(8)4-7-2-3-10-5-7;/h2-3H,4-5H2,1H3;1H
InChIKeyGLKWLRNHCMWDHJ-UHFFFAOYSA-N
XLogP1.21
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.12
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2H-1,3-thiazol-3-yl)acetate;hydrobromide?
The IUPAC name of methyl 2-(2H-1,3-thiazol-3-yl)acetate;hydrobromide (CID 173084083) is methyl 2-(2H-1,3-thiazol-3-yl)acetate;hydrobromide.
What is the SMILES notation for methyl 2-(2H-1,3-thiazol-3-yl)acetate;hydrobromide?
The canonical SMILES for methyl 2-(2H-1,3-thiazol-3-yl)acetate;hydrobromide is Br.COC(=O)CN1C=CSC1.
What is the InChIKey of methyl 2-(2H-1,3-thiazol-3-yl)acetate;hydrobromide?
The InChIKey is GLKWLRNHCMWDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2S.BrH/c1-9-6(8)4-7-2-3-10-5-7;/h2-3H,4-5H2,1H3;1H.
What are the key properties of methyl 2-(2H-1,3-thiazol-3-yl)acetate;hydrobromide?
methyl 2-(2H-1,3-thiazol-3-yl)acetate;hydrobromide has a molecular weight of 240.12 g/mol, XLogP of 1.21, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2H-1,3-thiazol-3-yl)acetate;hydrobromide is sourced from PubChem (CID 173084083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).