2-(2-undecyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazole

C24H35NS — CID 176916369

IUPAC2-(2-undecyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazole
SMILESCCCCCCCCCCCC1CCc2ccccc2C1c1nccs1
InChIInChI=1S/C24H35NS/c1-2-3-4-5-6-7-8-9-10-14-21-17-16-20-13-11-12-15-22(20)23(21)24-25-18-19-26-24/h11-13,15,18-19,21,23H,2-10,14,16-17H2,1H3
InChIKeyTUIBSCRCLKYSGE-UHFFFAOYSA-N
MW369.62 g/mol
LogP7.76
Rot. Bonds11

About 2-(2-undecyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazole

2-(2-undecyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazole (PubChem CID 176916369) has the molecular formula C24H35NS and a molecular weight of 369.62 g/mol. Its IUPAC name is 2-(2-undecyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-(2-undecyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazole
PubChem CID176916369
Molecular FormulaC24H35NS
Molecular Weight369.62 g/mol
Exact Mass369.25
IUPAC Name2-(2-undecyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazole
SMILESCCCCCCCCCCCC1CCc2ccccc2C1c1nccs1
InChIInChI=1S/C24H35NS/c1-2-3-4-5-6-7-8-9-10-14-21-17-16-20-13-11-12-15-22(20)23(21)24-25-18-19-26-24/h11-13,15,18-19,21,23H,2-10,14,16-17H2,1H3
InChIKeyTUIBSCRCLKYSGE-UHFFFAOYSA-N
XLogP7.76
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.62
LogP ≤ 57.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(2-undecyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazole 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 2-(2-undecyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazole?
The IUPAC name of 2-(2-undecyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazole (CID 176916369) is 2-(2-undecyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazole.
What is the SMILES notation for 2-(2-undecyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazole?
The canonical SMILES for 2-(2-undecyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazole is CCCCCCCCCCCC1CCc2ccccc2C1c1nccs1.
What is the InChIKey of 2-(2-undecyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazole?
The InChIKey is TUIBSCRCLKYSGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35NS/c1-2-3-4-5-6-7-8-9-10-14-21-17-16-20-13-11-12-15-22(20)23(21)24-25-18-19-26-24/h11-13,15,18-19,21,23H,2-10,14,16-17H2,1H3.
What are the key properties of 2-(2-undecyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazole?
2-(2-undecyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazole has a molecular weight of 369.62 g/mol, XLogP of 7.76, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-undecyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazole is sourced from PubChem (CID 176916369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).