methyl 2-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)acetate

C11H11NO2S2 — CID 61334161

IUPACmethyl 2-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)acetate
SMILESCOC(=O)Cc1nc(-c2cccs2)c(C)s1
InChIInChI=1S/C11H11NO2S2/c1-7-11(8-4-3-5-15-8)12-9(16-7)6-10(13)14-2/h3-5H,6H2,1-2H3
InChIKeyMILAXWRNBDYJMD-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.90
Rot. Bonds3

About methyl 2-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)acetate

methyl 2-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)acetate (PubChem CID 61334161) has the molecular formula C11H11NO2S2 and a molecular weight of 253.35 g/mol. Its IUPAC name is methyl 2-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)acetate
PubChem CID61334161
Molecular FormulaC11H11NO2S2
Molecular Weight253.35 g/mol
Exact Mass253.02
IUPAC Namemethyl 2-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)acetate
SMILESCOC(=O)Cc1nc(-c2cccs2)c(C)s1
InChIInChI=1S/C11H11NO2S2/c1-7-11(8-4-3-5-15-8)12-9(16-7)6-10(13)14-2/h3-5H,6H2,1-2H3
InChIKeyMILAXWRNBDYJMD-UHFFFAOYSA-N
XLogP2.90
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 861899
ethyl 5-methyl-4-thiophen-2-yl-1,3-thiazole-2-carboxylate
CID 61385398
methyl 2-[4-(2-methoxy-2-oxoethyl)-2,5-dithiophen-2-ylthiophen-3-yl]acetate
CID 15422593
methyl 2-(4-methyl-6-thiophen-2-ylpyrimidin-2-yl)acetate
CID 116895161
N-(4-methoxyphenyl)-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide
CID 9125297
methyl 2-(4-formyl-3-thiophen-2-ylpyrazol-1-yl)acetate
CID 121213555
methyl 2-(4H-indeno[1,2-d][1,3]thiazol-2-yl)acetate
CID 61336123
methyl 2-[(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetate
CID 17402660
N-(3,5-dimethoxyphenyl)-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide
CID 36765569
1-[5-(2-oxopropyl)-4-thiophen-2-yl-1,3-thiazol-2-yl]pentan-2-one
CID 157434059
N-methyl-2-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)propan-1-amine
CID 104513339
3-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)pentan-3-amine
CID 61334911

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)acetate?
The IUPAC name of methyl 2-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)acetate (CID 61334161) is methyl 2-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)acetate.
What is the SMILES notation for methyl 2-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)acetate?
The canonical SMILES for methyl 2-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)acetate is COC(=O)Cc1nc(-c2cccs2)c(C)s1.
What is the InChIKey of methyl 2-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)acetate?
The InChIKey is MILAXWRNBDYJMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2S2/c1-7-11(8-4-3-5-15-8)12-9(16-7)6-10(13)14-2/h3-5H,6H2,1-2H3.
What are the key properties of methyl 2-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)acetate?
methyl 2-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)acetate has a molecular weight of 253.35 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)acetate is sourced from PubChem (CID 61334161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).