methyl 2-(4-methyl-2H-1,3-thiazol-3-yl)acetate;hydrobromide

C7H12BrNO2S — CID 173084164

IUPACmethyl 2-(4-methyl-2H-1,3-thiazol-3-yl)acetate;hydrobromide
SMILESBr.COC(=O)CN1CSC=C1C
InChIInChI=1S/C7H11NO2S.BrH/c1-6-4-11-5-8(6)3-7(9)10-2;/h4H,3,5H2,1-2H3;1H
InChIKeyBSKIETQWEBGXHW-UHFFFAOYSA-N
MW254.15 g/mol
LogP1.60
Rot. Bonds2

About methyl 2-(4-methyl-2H-1,3-thiazol-3-yl)acetate;hydrobromide

methyl 2-(4-methyl-2H-1,3-thiazol-3-yl)acetate;hydrobromide (PubChem CID 173084164) has the molecular formula C7H12BrNO2S and a molecular weight of 254.15 g/mol. Its IUPAC name is methyl 2-(4-methyl-2H-1,3-thiazol-3-yl)acetate;hydrobromide.

Molecular Properties

Compound Namemethyl 2-(4-methyl-2H-1,3-thiazol-3-yl)acetate;hydrobromide
PubChem CID173084164
Molecular FormulaC7H12BrNO2S
Molecular Weight254.15 g/mol
Exact Mass252.98
IUPAC Namemethyl 2-(4-methyl-2H-1,3-thiazol-3-yl)acetate;hydrobromide
SMILESBr.COC(=O)CN1CSC=C1C
InChIInChI=1S/C7H11NO2S.BrH/c1-6-4-11-5-8(6)3-7(9)10-2;/h4H,3,5H2,1-2H3;1H
InChIKeyBSKIETQWEBGXHW-UHFFFAOYSA-N
XLogP1.60
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.15
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-methyl-2H-1,3-thiazol-3-yl)acetate;hydrobromide?
The IUPAC name of methyl 2-(4-methyl-2H-1,3-thiazol-3-yl)acetate;hydrobromide (CID 173084164) is methyl 2-(4-methyl-2H-1,3-thiazol-3-yl)acetate;hydrobromide.
What is the SMILES notation for methyl 2-(4-methyl-2H-1,3-thiazol-3-yl)acetate;hydrobromide?
The canonical SMILES for methyl 2-(4-methyl-2H-1,3-thiazol-3-yl)acetate;hydrobromide is Br.COC(=O)CN1CSC=C1C.
What is the InChIKey of methyl 2-(4-methyl-2H-1,3-thiazol-3-yl)acetate;hydrobromide?
The InChIKey is BSKIETQWEBGXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2S.BrH/c1-6-4-11-5-8(6)3-7(9)10-2;/h4H,3,5H2,1-2H3;1H.
What are the key properties of methyl 2-(4-methyl-2H-1,3-thiazol-3-yl)acetate;hydrobromide?
methyl 2-(4-methyl-2H-1,3-thiazol-3-yl)acetate;hydrobromide has a molecular weight of 254.15 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-methyl-2H-1,3-thiazol-3-yl)acetate;hydrobromide is sourced from PubChem (CID 173084164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).