2-methyl-4-[2-[5-(2-phenylethyl)-3-pyridinyl]ethynyl]-1,3-thiazole

C19H16N2S — CID 16662262

IUPAC2-methyl-4-[2-[5-(2-phenylethyl)-3-pyridinyl]ethynyl]-1,3-thiazole
SMILESCc1nc(C#Cc2cncc(CCc3ccccc3)c2)cs1
InChIInChI=1S/C19H16N2S/c1-15-21-19(14-22-15)10-9-18-11-17(12-20-13-18)8-7-16-5-3-2-4-6-16/h2-6,11-14H,7-8H2,1H3
InChIKeyQNEZAUBGBZPAQV-UHFFFAOYSA-N
MW304.42 g/mol
LogP4.03
Rot. Bonds3

About 2-methyl-4-[2-[5-(2-phenylethyl)-3-pyridinyl]ethynyl]-1,3-thiazole

2-methyl-4-[2-[5-(2-phenylethyl)-3-pyridinyl]ethynyl]-1,3-thiazole (PubChem CID 16662262) has the molecular formula C19H16N2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 2-methyl-4-[2-[5-(2-phenylethyl)-3-pyridinyl]ethynyl]-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-4-[2-[5-(2-phenylethyl)-3-pyridinyl]ethynyl]-1,3-thiazole
PubChem CID16662262
Molecular FormulaC19H16N2S
Molecular Weight304.42 g/mol
Exact Mass304.10
IUPAC Name2-methyl-4-[2-[5-(2-phenylethyl)-3-pyridinyl]ethynyl]-1,3-thiazole
SMILESCc1nc(C#Cc2cncc(CCc3ccccc3)c2)cs1
InChIInChI=1S/C19H16N2S/c1-15-21-19(14-22-15)10-9-18-11-17(12-20-13-18)8-7-16-5-3-2-4-6-16/h2-6,11-14H,7-8H2,1H3
InChIKeyQNEZAUBGBZPAQV-UHFFFAOYSA-N
XLogP4.03
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[2-[5-(2-phenylethyl)-3-pyridinyl]ethynyl]-1,3-thiazole?
The IUPAC name of 2-methyl-4-[2-[5-(2-phenylethyl)-3-pyridinyl]ethynyl]-1,3-thiazole (CID 16662262) is 2-methyl-4-[2-[5-(2-phenylethyl)-3-pyridinyl]ethynyl]-1,3-thiazole.
What is the SMILES notation for 2-methyl-4-[2-[5-(2-phenylethyl)-3-pyridinyl]ethynyl]-1,3-thiazole?
The canonical SMILES for 2-methyl-4-[2-[5-(2-phenylethyl)-3-pyridinyl]ethynyl]-1,3-thiazole is Cc1nc(C#Cc2cncc(CCc3ccccc3)c2)cs1.
What is the InChIKey of 2-methyl-4-[2-[5-(2-phenylethyl)-3-pyridinyl]ethynyl]-1,3-thiazole?
The InChIKey is QNEZAUBGBZPAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2S/c1-15-21-19(14-22-15)10-9-18-11-17(12-20-13-18)8-7-16-5-3-2-4-6-16/h2-6,11-14H,7-8H2,1H3.
What are the key properties of 2-methyl-4-[2-[5-(2-phenylethyl)-3-pyridinyl]ethynyl]-1,3-thiazole?
2-methyl-4-[2-[5-(2-phenylethyl)-3-pyridinyl]ethynyl]-1,3-thiazole has a molecular weight of 304.42 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[2-[5-(2-phenylethyl)-3-pyridinyl]ethynyl]-1,3-thiazole is sourced from PubChem (CID 16662262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).