tert-butyl 4-methylthieno[3,2-a]carbazole-10-carboxylate

C20H19NO2S — CID 11609749

IUPACtert-butyl 4-methylthieno[3,2-a]carbazole-10-carboxylate
SMILESCc1cc2c3ccccc3n(C(=O)OC(C)(C)C)c2c2ccsc12
InChIInChI=1S/C20H19NO2S/c1-12-11-15-13-7-5-6-8-16(13)21(19(22)23-20(2,3)4)17(15)14-9-10-24-18(12)14/h5-11H,1-4H3
InChIKeyWKFGEEHLIFQROC-UHFFFAOYSA-N
MW337.44 g/mol
LogP6.10
Rot. Bonds

About tert-butyl 4-methylthieno[3,2-a]carbazole-10-carboxylate

tert-butyl 4-methylthieno[3,2-a]carbazole-10-carboxylate (PubChem CID 11609749) has the molecular formula C20H19NO2S and a molecular weight of 337.44 g/mol. Its IUPAC name is tert-butyl 4-methylthieno[3,2-a]carbazole-10-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-methylthieno[3,2-a]carbazole-10-carboxylate
PubChem CID11609749
Molecular FormulaC20H19NO2S
Molecular Weight337.44 g/mol
Exact Mass337.11
IUPAC Nametert-butyl 4-methylthieno[3,2-a]carbazole-10-carboxylate
SMILESCc1cc2c3ccccc3n(C(=O)OC(C)(C)C)c2c2ccsc12
InChIInChI=1S/C20H19NO2S/c1-12-11-15-13-7-5-6-8-16(13)21(19(22)23-20(2,3)4)17(15)14-9-10-24-18(12)14/h5-11H,1-4H3
InChIKeyWKFGEEHLIFQROC-UHFFFAOYSA-N
XLogP6.10
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.44
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-methylthieno[3,2-a]carbazole-10-carboxylate?
The IUPAC name of tert-butyl 4-methylthieno[3,2-a]carbazole-10-carboxylate (CID 11609749) is tert-butyl 4-methylthieno[3,2-a]carbazole-10-carboxylate.
What is the SMILES notation for tert-butyl 4-methylthieno[3,2-a]carbazole-10-carboxylate?
The canonical SMILES for tert-butyl 4-methylthieno[3,2-a]carbazole-10-carboxylate is Cc1cc2c3ccccc3n(C(=O)OC(C)(C)C)c2c2ccsc12.
What is the InChIKey of tert-butyl 4-methylthieno[3,2-a]carbazole-10-carboxylate?
The InChIKey is WKFGEEHLIFQROC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2S/c1-12-11-15-13-7-5-6-8-16(13)21(19(22)23-20(2,3)4)17(15)14-9-10-24-18(12)14/h5-11H,1-4H3.
What are the key properties of tert-butyl 4-methylthieno[3,2-a]carbazole-10-carboxylate?
tert-butyl 4-methylthieno[3,2-a]carbazole-10-carboxylate has a molecular weight of 337.44 g/mol, XLogP of 6.10, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-methylthieno[3,2-a]carbazole-10-carboxylate is sourced from PubChem (CID 11609749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).