methyl 5-(1-benzothiophen-2-yl)thiophene-2-carboxylate

C14H10O2S2 — CID 3265084

IUPACmethyl 5-(1-benzothiophen-2-yl)thiophene-2-carboxylate
SMILESCOC(=O)c1ccc(-c2cc3ccccc3s2)s1
InChIInChI=1S/C14H10O2S2/c1-16-14(15)12-7-6-11(18-12)13-8-9-4-2-3-5-10(9)17-13/h2-8H,1H3
InChIKeyMNVYIGYJSVEFQW-UHFFFAOYSA-N
MW274.37 g/mol
LogP4.42
Rot. Bonds2

About methyl 5-(1-benzothiophen-2-yl)thiophene-2-carboxylate

methyl 5-(1-benzothiophen-2-yl)thiophene-2-carboxylate (PubChem CID 3265084) has the molecular formula C14H10O2S2 and a molecular weight of 274.37 g/mol. Its IUPAC name is methyl 5-(1-benzothiophen-2-yl)thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(1-benzothiophen-2-yl)thiophene-2-carboxylate
PubChem CID3265084
Molecular FormulaC14H10O2S2
Molecular Weight274.37 g/mol
Exact Mass274.01
IUPAC Namemethyl 5-(1-benzothiophen-2-yl)thiophene-2-carboxylate
SMILESCOC(=O)c1ccc(-c2cc3ccccc3s2)s1
InChIInChI=1S/C14H10O2S2/c1-16-14(15)12-7-6-11(18-12)13-8-9-4-2-3-5-10(9)17-13/h2-8H,1H3
InChIKeyMNVYIGYJSVEFQW-UHFFFAOYSA-N
XLogP4.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-(5-methoxycarbonylthiophen-2-yl)thiophene-2-carboxylate
CID 4072395
2-(5-methylthiophen-2-yl)-1-benzothiophene
CID 23543358
methyl 5-(2-bromophenyl)thiophene-2-carboxylate
CID 117222348
2-[[2-[5-(1-benzothiophen-2-yl)thiophen-2-yl]-2-oxoethyl]amino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 87088218
methyl 5-phenyl-1-benzothiophene-2-carboxylate
CID 19007392
methyl 7-(1-benzothiophen-2-yl)-1-methylcyclopenta[d]oxazine-4-carboxylate
CID 11846259
methyl 2-(1-benzothiophen-2-yl)-6-methyl-4-sulfanylidene-1H-pyrimidine-5-carboxylate
CID 61406657
ethyl 2-[5-(1-benzothiophen-2-yl)thiophen-2-yl]-4-methyl-1,3-thiazole-5-carboxylate
CID 66644689
methyl 5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carboxylate
CID 14871953
methyl 5-(1-benzothiophen-2-yl)pyrimido[1,6-a]indole-3-carboxylate
CID 11523319
methyl 5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-carboxylate
CID 2819954
methyl 5-benzo[e][1,3]benzoxazol-2-ylthiophene-2-carboxylate
CID 165354587

Frequently Asked Questions

What is the IUPAC name of methyl 5-(1-benzothiophen-2-yl)thiophene-2-carboxylate?
The IUPAC name of methyl 5-(1-benzothiophen-2-yl)thiophene-2-carboxylate (CID 3265084) is methyl 5-(1-benzothiophen-2-yl)thiophene-2-carboxylate.
What is the SMILES notation for methyl 5-(1-benzothiophen-2-yl)thiophene-2-carboxylate?
The canonical SMILES for methyl 5-(1-benzothiophen-2-yl)thiophene-2-carboxylate is COC(=O)c1ccc(-c2cc3ccccc3s2)s1.
What is the InChIKey of methyl 5-(1-benzothiophen-2-yl)thiophene-2-carboxylate?
The InChIKey is MNVYIGYJSVEFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O2S2/c1-16-14(15)12-7-6-11(18-12)13-8-9-4-2-3-5-10(9)17-13/h2-8H,1H3.
What are the key properties of methyl 5-(1-benzothiophen-2-yl)thiophene-2-carboxylate?
methyl 5-(1-benzothiophen-2-yl)thiophene-2-carboxylate has a molecular weight of 274.37 g/mol, XLogP of 4.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(1-benzothiophen-2-yl)thiophene-2-carboxylate is sourced from PubChem (CID 3265084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).