2,3-dimethyl-10H-thieno[2,3-a]carbazole

C16H13NS — CID 144848398

IUPAC2,3-dimethyl-10H-thieno[2,3-a]carbazole
SMILESCc1sc2c(ccc3c4ccccc4[nH]c32)c1C
InChIInChI=1S/C16H13NS/c1-9-10(2)18-16-11(9)7-8-13-12-5-3-4-6-14(12)17-15(13)16/h3-8,17H,1-2H3
InChIKeyNKABVNWHSGCLNG-UHFFFAOYSA-N
MW251.35 g/mol
LogP5.15
Rot. Bonds

About 2,3-dimethyl-10H-thieno[2,3-a]carbazole

2,3-dimethyl-10H-thieno[2,3-a]carbazole (PubChem CID 144848398) has the molecular formula C16H13NS and a molecular weight of 251.35 g/mol. Its IUPAC name is 2,3-dimethyl-10H-thieno[2,3-a]carbazole.

Molecular Properties

Compound Name2,3-dimethyl-10H-thieno[2,3-a]carbazole
PubChem CID144848398
Molecular FormulaC16H13NS
Molecular Weight251.35 g/mol
Exact Mass251.08
IUPAC Name2,3-dimethyl-10H-thieno[2,3-a]carbazole
SMILESCc1sc2c(ccc3c4ccccc4[nH]c32)c1C
InChIInChI=1S/C16H13NS/c1-9-10(2)18-16-11(9)7-8-13-12-5-3-4-6-14(12)17-15(13)16/h3-8,17H,1-2H3
InChIKeyNKABVNWHSGCLNG-UHFFFAOYSA-N
XLogP5.15
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500251.35
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-10H-thieno[2,3-a]carbazole?
The IUPAC name of 2,3-dimethyl-10H-thieno[2,3-a]carbazole (CID 144848398) is 2,3-dimethyl-10H-thieno[2,3-a]carbazole.
What is the SMILES notation for 2,3-dimethyl-10H-thieno[2,3-a]carbazole?
The canonical SMILES for 2,3-dimethyl-10H-thieno[2,3-a]carbazole is Cc1sc2c(ccc3c4ccccc4[nH]c32)c1C.
What is the InChIKey of 2,3-dimethyl-10H-thieno[2,3-a]carbazole?
The InChIKey is NKABVNWHSGCLNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NS/c1-9-10(2)18-16-11(9)7-8-13-12-5-3-4-6-14(12)17-15(13)16/h3-8,17H,1-2H3.
What are the key properties of 2,3-dimethyl-10H-thieno[2,3-a]carbazole?
2,3-dimethyl-10H-thieno[2,3-a]carbazole has a molecular weight of 251.35 g/mol, XLogP of 5.15, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-10H-thieno[2,3-a]carbazole is sourced from PubChem (CID 144848398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).