9-[3-(5-methylthiophen-2-yl)propyl]carbazole

C20H19NS — CID 58526608

IUPAC9-[3-(5-methylthiophen-2-yl)propyl]carbazole
SMILESCc1ccc(CCCn2c3ccccc3c3ccccc32)s1
InChIInChI=1S/C20H19NS/c1-15-12-13-16(22-15)7-6-14-21-19-10-4-2-8-17(19)18-9-3-5-11-20(18)21/h2-5,8-13H,6-7,14H2,1H3
InChIKeyCIUOXBLGHFNSOY-UHFFFAOYSA-N
MW305.45 g/mol
LogP5.80
Rot. Bonds4

About 9-[3-(5-methylthiophen-2-yl)propyl]carbazole

9-[3-(5-methylthiophen-2-yl)propyl]carbazole (PubChem CID 58526608) has the molecular formula C20H19NS and a molecular weight of 305.45 g/mol. Its IUPAC name is 9-[3-(5-methylthiophen-2-yl)propyl]carbazole.

Molecular Properties

Compound Name9-[3-(5-methylthiophen-2-yl)propyl]carbazole
PubChem CID58526608
Molecular FormulaC20H19NS
Molecular Weight305.45 g/mol
Exact Mass305.12
IUPAC Name9-[3-(5-methylthiophen-2-yl)propyl]carbazole
SMILESCc1ccc(CCCn2c3ccccc3c3ccccc32)s1
InChIInChI=1S/C20H19NS/c1-15-12-13-16(22-15)7-6-14-21-19-10-4-2-8-17(19)18-9-3-5-11-20(18)21/h2-5,8-13H,6-7,14H2,1H3
InChIKeyCIUOXBLGHFNSOY-UHFFFAOYSA-N
XLogP5.80
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.45
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9-[3-(5-methylthiophen-2-yl)propyl]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-[3-(5-methylthiophen-2-yl)propyl]carbazole?
The IUPAC name of 9-[3-(5-methylthiophen-2-yl)propyl]carbazole (CID 58526608) is 9-[3-(5-methylthiophen-2-yl)propyl]carbazole.
What is the SMILES notation for 9-[3-(5-methylthiophen-2-yl)propyl]carbazole?
The canonical SMILES for 9-[3-(5-methylthiophen-2-yl)propyl]carbazole is Cc1ccc(CCCn2c3ccccc3c3ccccc32)s1.
What is the InChIKey of 9-[3-(5-methylthiophen-2-yl)propyl]carbazole?
The InChIKey is CIUOXBLGHFNSOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NS/c1-15-12-13-16(22-15)7-6-14-21-19-10-4-2-8-17(19)18-9-3-5-11-20(18)21/h2-5,8-13H,6-7,14H2,1H3.
What are the key properties of 9-[3-(5-methylthiophen-2-yl)propyl]carbazole?
9-[3-(5-methylthiophen-2-yl)propyl]carbazole has a molecular weight of 305.45 g/mol, XLogP of 5.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(5-methylthiophen-2-yl)propyl]carbazole is sourced from PubChem (CID 58526608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).