methyl 2-(2-chloro-1,3-thiazol-5-yl)acetate

C6H6ClNO2S — CID 71721406

IUPACmethyl 2-(2-chloro-1,3-thiazol-5-yl)acetate
SMILESCOC(=O)Cc1cnc(Cl)s1
InChIInChI=1S/C6H6ClNO2S/c1-10-5(9)2-4-3-8-6(7)11-4/h3H,2H2,1H3
InChIKeyCBPLXMRGVOZYDK-UHFFFAOYSA-N
MW191.64 g/mol
LogP1.51
Rot. Bonds2

About methyl 2-(2-chloro-1,3-thiazol-5-yl)acetate

methyl 2-(2-chloro-1,3-thiazol-5-yl)acetate (PubChem CID 71721406) has the molecular formula C6H6ClNO2S and a molecular weight of 191.64 g/mol. Its IUPAC name is methyl 2-(2-chloro-1,3-thiazol-5-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-chloro-1,3-thiazol-5-yl)acetate
PubChem CID71721406
Molecular FormulaC6H6ClNO2S
Molecular Weight191.64 g/mol
Exact Mass190.98
IUPAC Namemethyl 2-(2-chloro-1,3-thiazol-5-yl)acetate
SMILESCOC(=O)Cc1cnc(Cl)s1
InChIInChI=1S/C6H6ClNO2S/c1-10-5(9)2-4-3-8-6(7)11-4/h3H,2H2,1H3
InChIKeyCBPLXMRGVOZYDK-UHFFFAOYSA-N
XLogP1.51
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.64
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-chloro-1,3-thiazol-5-yl)acetate?
The IUPAC name of methyl 2-(2-chloro-1,3-thiazol-5-yl)acetate (CID 71721406) is methyl 2-(2-chloro-1,3-thiazol-5-yl)acetate.
What is the SMILES notation for methyl 2-(2-chloro-1,3-thiazol-5-yl)acetate?
The canonical SMILES for methyl 2-(2-chloro-1,3-thiazol-5-yl)acetate is COC(=O)Cc1cnc(Cl)s1.
What is the InChIKey of methyl 2-(2-chloro-1,3-thiazol-5-yl)acetate?
The InChIKey is CBPLXMRGVOZYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClNO2S/c1-10-5(9)2-4-3-8-6(7)11-4/h3H,2H2,1H3.
What are the key properties of methyl 2-(2-chloro-1,3-thiazol-5-yl)acetate?
methyl 2-(2-chloro-1,3-thiazol-5-yl)acetate has a molecular weight of 191.64 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-chloro-1,3-thiazol-5-yl)acetate is sourced from PubChem (CID 71721406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).