2-pentyl-4-(2-phenylethenyl)-1,3-thiazole

C16H19NS — CID 67836933

IUPAC2-pentyl-4-(2-phenylethenyl)-1,3-thiazole
SMILESCCCCCc1nc(C=Cc2ccccc2)cs1
InChIInChI=1S/C16H19NS/c1-2-3-5-10-16-17-15(13-18-16)12-11-14-8-6-4-7-9-14/h4,6-9,11-13H,2-3,5,10H2,1H3
InChIKeyZLDNMWIBGYHZKR-UHFFFAOYSA-N
MW257.40 g/mol
LogP5.05
Rot. Bonds6

About 2-pentyl-4-(2-phenylethenyl)-1,3-thiazole

2-pentyl-4-(2-phenylethenyl)-1,3-thiazole (PubChem CID 67836933) has the molecular formula C16H19NS and a molecular weight of 257.40 g/mol. Its IUPAC name is 2-pentyl-4-(2-phenylethenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-pentyl-4-(2-phenylethenyl)-1,3-thiazole
PubChem CID67836933
Molecular FormulaC16H19NS
Molecular Weight257.40 g/mol
Exact Mass257.12
IUPAC Name2-pentyl-4-(2-phenylethenyl)-1,3-thiazole
SMILESCCCCCc1nc(C=Cc2ccccc2)cs1
InChIInChI=1S/C16H19NS/c1-2-3-5-10-16-17-15(13-18-16)12-11-14-8-6-4-7-9-14/h4,6-9,11-13H,2-3,5,10H2,1H3
InChIKeyZLDNMWIBGYHZKR-UHFFFAOYSA-N
XLogP5.05
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500257.40
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-pentyl-4-(2-phenylethenyl)-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-pentyl-4-(2-phenylethenyl)-1,3-thiazole?
The IUPAC name of 2-pentyl-4-(2-phenylethenyl)-1,3-thiazole (CID 67836933) is 2-pentyl-4-(2-phenylethenyl)-1,3-thiazole.
What is the SMILES notation for 2-pentyl-4-(2-phenylethenyl)-1,3-thiazole?
The canonical SMILES for 2-pentyl-4-(2-phenylethenyl)-1,3-thiazole is CCCCCc1nc(C=Cc2ccccc2)cs1.
What is the InChIKey of 2-pentyl-4-(2-phenylethenyl)-1,3-thiazole?
The InChIKey is ZLDNMWIBGYHZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NS/c1-2-3-5-10-16-17-15(13-18-16)12-11-14-8-6-4-7-9-14/h4,6-9,11-13H,2-3,5,10H2,1H3.
What are the key properties of 2-pentyl-4-(2-phenylethenyl)-1,3-thiazole?
2-pentyl-4-(2-phenylethenyl)-1,3-thiazole has a molecular weight of 257.40 g/mol, XLogP of 5.05, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentyl-4-(2-phenylethenyl)-1,3-thiazole is sourced from PubChem (CID 67836933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).