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

C11H11NO2S3 — CID 2820205

IUPACmethyl 5-methylsulfanyl-4-(4-methyl-1,3-thiazol-2-yl)thiophene-2-carboxylate
SMILESCOC(=O)c1cc(-c2nc(C)cs2)c(SC)s1
InChIInChI=1S/C11H11NO2S3/c1-6-5-16-9(12-6)7-4-8(10(13)14-2)17-11(7)15-3/h4-5H,1-3H3
InChIKeyGZELXVGONFPQCC-UHFFFAOYSA-N
MW285.42 g/mol
LogP3.69
Rot. Bonds3

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

methyl 5-methylsulfanyl-4-(4-methyl-1,3-thiazol-2-yl)thiophene-2-carboxylate (PubChem CID 2820205) has the molecular formula C11H11NO2S3 and a molecular weight of 285.42 g/mol. Its IUPAC name is methyl 5-methylsulfanyl-4-(4-methyl-1,3-thiazol-2-yl)thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-methylsulfanyl-4-(4-methyl-1,3-thiazol-2-yl)thiophene-2-carboxylate
PubChem CID2820205
Molecular FormulaC11H11NO2S3
Molecular Weight285.42 g/mol
Exact Mass285.00
IUPAC Namemethyl 5-methylsulfanyl-4-(4-methyl-1,3-thiazol-2-yl)thiophene-2-carboxylate
SMILESCOC(=O)c1cc(-c2nc(C)cs2)c(SC)s1
InChIInChI=1S/C11H11NO2S3/c1-6-5-16-9(12-6)7-4-8(10(13)14-2)17-11(7)15-3/h4-5H,1-3H3
InChIKeyGZELXVGONFPQCC-UHFFFAOYSA-N
XLogP3.69
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.42
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 5-methylsulfanyl-4-(4-methyl-1,3-thiazol-2-yl)thiophene-2-carboxylate?
The IUPAC name of methyl 5-methylsulfanyl-4-(4-methyl-1,3-thiazol-2-yl)thiophene-2-carboxylate (CID 2820205) is methyl 5-methylsulfanyl-4-(4-methyl-1,3-thiazol-2-yl)thiophene-2-carboxylate.
What is the SMILES notation for methyl 5-methylsulfanyl-4-(4-methyl-1,3-thiazol-2-yl)thiophene-2-carboxylate?
The canonical SMILES for methyl 5-methylsulfanyl-4-(4-methyl-1,3-thiazol-2-yl)thiophene-2-carboxylate is COC(=O)c1cc(-c2nc(C)cs2)c(SC)s1.
What is the InChIKey of methyl 5-methylsulfanyl-4-(4-methyl-1,3-thiazol-2-yl)thiophene-2-carboxylate?
The InChIKey is GZELXVGONFPQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2S3/c1-6-5-16-9(12-6)7-4-8(10(13)14-2)17-11(7)15-3/h4-5H,1-3H3.
What are the key properties of methyl 5-methylsulfanyl-4-(4-methyl-1,3-thiazol-2-yl)thiophene-2-carboxylate?
methyl 5-methylsulfanyl-4-(4-methyl-1,3-thiazol-2-yl)thiophene-2-carboxylate has a molecular weight of 285.42 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methylsulfanyl-4-(4-methyl-1,3-thiazol-2-yl)thiophene-2-carboxylate is sourced from PubChem (CID 2820205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).