methyl 5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-carboxylate

C10H9NO2S2 — CID 2819954

IUPACmethyl 5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-carboxylate
SMILESCOC(=O)c1ccc(-c2csc(C)n2)s1
InChIInChI=1S/C10H9NO2S2/c1-6-11-7(5-14-6)8-3-4-9(15-8)10(12)13-2/h3-5H,1-2H3
InChIKeyLKUXKRSTNNZJAV-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.97
Rot. Bonds2

About methyl 5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-carboxylate

methyl 5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-carboxylate (PubChem CID 2819954) has the molecular formula C10H9NO2S2 and a molecular weight of 239.32 g/mol. Its IUPAC name is methyl 5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-carboxylate
PubChem CID2819954
Molecular FormulaC10H9NO2S2
Molecular Weight239.32 g/mol
Exact Mass239.01
IUPAC Namemethyl 5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-carboxylate
SMILESCOC(=O)c1ccc(-c2csc(C)n2)s1
InChIInChI=1S/C10H9NO2S2/c1-6-11-7(5-14-6)8-3-4-9(15-8)10(12)13-2/h3-5H,1-2H3
InChIKeyLKUXKRSTNNZJAV-UHFFFAOYSA-N
XLogP2.97
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-carboxylate?
The IUPAC name of methyl 5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-carboxylate (CID 2819954) is methyl 5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-carboxylate.
What is the SMILES notation for methyl 5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-carboxylate?
The canonical SMILES for methyl 5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-carboxylate is COC(=O)c1ccc(-c2csc(C)n2)s1.
What is the InChIKey of methyl 5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-carboxylate?
The InChIKey is LKUXKRSTNNZJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2S2/c1-6-11-7(5-14-6)8-3-4-9(15-8)10(12)13-2/h3-5H,1-2H3.
What are the key properties of methyl 5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-carboxylate?
methyl 5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-carboxylate has a molecular weight of 239.32 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-carboxylate is sourced from PubChem (CID 2819954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).