methyl 3-carbazol-9-ylthiophene-2-carboxylate

C18H13NO2S — CID 70982066

IUPACmethyl 3-carbazol-9-ylthiophene-2-carboxylate
SMILESCOC(=O)c1sccc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C18H13NO2S/c1-21-18(20)17-16(10-11-22-17)19-14-8-4-2-6-12(14)13-7-3-5-9-15(13)19/h2-11H,1H3
InChIKeySUILXJPSEQBIEY-UHFFFAOYSA-N
MW307.37 g/mol
LogP4.63
Rot. Bonds2

About methyl 3-carbazol-9-ylthiophene-2-carboxylate

methyl 3-carbazol-9-ylthiophene-2-carboxylate (PubChem CID 70982066) has the molecular formula C18H13NO2S and a molecular weight of 307.37 g/mol. Its IUPAC name is methyl 3-carbazol-9-ylthiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-carbazol-9-ylthiophene-2-carboxylate
PubChem CID70982066
Molecular FormulaC18H13NO2S
Molecular Weight307.37 g/mol
Exact Mass307.07
IUPAC Namemethyl 3-carbazol-9-ylthiophene-2-carboxylate
SMILESCOC(=O)c1sccc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C18H13NO2S/c1-21-18(20)17-16(10-11-22-17)19-14-8-4-2-6-12(14)13-7-3-5-9-15(13)19/h2-11H,1H3
InChIKeySUILXJPSEQBIEY-UHFFFAOYSA-N
XLogP4.63
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-carbazol-9-ylthiophene-2-carboxylate?
The IUPAC name of methyl 3-carbazol-9-ylthiophene-2-carboxylate (CID 70982066) is methyl 3-carbazol-9-ylthiophene-2-carboxylate.
What is the SMILES notation for methyl 3-carbazol-9-ylthiophene-2-carboxylate?
The canonical SMILES for methyl 3-carbazol-9-ylthiophene-2-carboxylate is COC(=O)c1sccc1-n1c2ccccc2c2ccccc21.
What is the InChIKey of methyl 3-carbazol-9-ylthiophene-2-carboxylate?
The InChIKey is SUILXJPSEQBIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO2S/c1-21-18(20)17-16(10-11-22-17)19-14-8-4-2-6-12(14)13-7-3-5-9-15(13)19/h2-11H,1H3.
What are the key properties of methyl 3-carbazol-9-ylthiophene-2-carboxylate?
methyl 3-carbazol-9-ylthiophene-2-carboxylate has a molecular weight of 307.37 g/mol, XLogP of 4.63, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-carbazol-9-ylthiophene-2-carboxylate is sourced from PubChem (CID 70982066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).