ethyl 6-methylthieno[3,2-c]carbazole-2-carboxylate

C18H15NO2S — CID 10638629

IUPACethyl 6-methylthieno[3,2-c]carbazole-2-carboxylate
SMILESCCOC(=O)c1cc2ccc3c(c4ccccc4n3C)c2s1
InChIInChI=1S/C18H15NO2S/c1-3-21-18(20)15-10-11-8-9-14-16(17(11)22-15)12-6-4-5-7-13(12)19(14)2/h4-10H,3H2,1-2H3
InChIKeyNGQMBSSHAFBQFB-UHFFFAOYSA-N
MW309.39 g/mol
LogP4.72
Rot. Bonds2

About ethyl 6-methylthieno[3,2-c]carbazole-2-carboxylate

ethyl 6-methylthieno[3,2-c]carbazole-2-carboxylate (PubChem CID 10638629) has the molecular formula C18H15NO2S and a molecular weight of 309.39 g/mol. Its IUPAC name is ethyl 6-methylthieno[3,2-c]carbazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-methylthieno[3,2-c]carbazole-2-carboxylate
PubChem CID10638629
Molecular FormulaC18H15NO2S
Molecular Weight309.39 g/mol
Exact Mass309.08
IUPAC Nameethyl 6-methylthieno[3,2-c]carbazole-2-carboxylate
SMILESCCOC(=O)c1cc2ccc3c(c4ccccc4n3C)c2s1
InChIInChI=1S/C18H15NO2S/c1-3-21-18(20)15-10-11-8-9-14-16(17(11)22-15)12-6-4-5-7-13(12)19(14)2/h4-10H,3H2,1-2H3
InChIKeyNGQMBSSHAFBQFB-UHFFFAOYSA-N
XLogP4.72
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-methylthieno[3,2-c]carbazole-2-carboxylate?
The IUPAC name of ethyl 6-methylthieno[3,2-c]carbazole-2-carboxylate (CID 10638629) is ethyl 6-methylthieno[3,2-c]carbazole-2-carboxylate.
What is the SMILES notation for ethyl 6-methylthieno[3,2-c]carbazole-2-carboxylate?
The canonical SMILES for ethyl 6-methylthieno[3,2-c]carbazole-2-carboxylate is CCOC(=O)c1cc2ccc3c(c4ccccc4n3C)c2s1.
What is the InChIKey of ethyl 6-methylthieno[3,2-c]carbazole-2-carboxylate?
The InChIKey is NGQMBSSHAFBQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO2S/c1-3-21-18(20)15-10-11-8-9-14-16(17(11)22-15)12-6-4-5-7-13(12)19(14)2/h4-10H,3H2,1-2H3.
What are the key properties of ethyl 6-methylthieno[3,2-c]carbazole-2-carboxylate?
ethyl 6-methylthieno[3,2-c]carbazole-2-carboxylate has a molecular weight of 309.39 g/mol, XLogP of 4.72, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-methylthieno[3,2-c]carbazole-2-carboxylate is sourced from PubChem (CID 10638629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).