2-benzyl-5-pyridin-4-yl-1,3-thiazole

C15H12N2S — CID 14207536

IUPAC2-benzyl-5-pyridin-4-yl-1,3-thiazole
SMILESc1ccc(Cc2ncc(-c3ccncc3)s2)cc1
InChIInChI=1S/C15H12N2S/c1-2-4-12(5-3-1)10-15-17-11-14(18-15)13-6-8-16-9-7-13/h1-9,11H,10H2
InChIKeyJWUITUGTFLWDRS-UHFFFAOYSA-N
MW252.34 g/mol
LogP3.80
Rot. Bonds3

About 2-benzyl-5-pyridin-4-yl-1,3-thiazole

2-benzyl-5-pyridin-4-yl-1,3-thiazole (PubChem CID 14207536) has the molecular formula C15H12N2S and a molecular weight of 252.34 g/mol. Its IUPAC name is 2-benzyl-5-pyridin-4-yl-1,3-thiazole.

Molecular Properties

Compound Name2-benzyl-5-pyridin-4-yl-1,3-thiazole
PubChem CID14207536
Molecular FormulaC15H12N2S
Molecular Weight252.34 g/mol
Exact Mass252.07
IUPAC Name2-benzyl-5-pyridin-4-yl-1,3-thiazole
SMILESc1ccc(Cc2ncc(-c3ccncc3)s2)cc1
InChIInChI=1S/C15H12N2S/c1-2-4-12(5-3-1)10-15-17-11-14(18-15)13-6-8-16-9-7-13/h1-9,11H,10H2
InChIKeyJWUITUGTFLWDRS-UHFFFAOYSA-N
XLogP3.80
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-pyridin-4-yl-1,3-thiazole?
The IUPAC name of 2-benzyl-5-pyridin-4-yl-1,3-thiazole (CID 14207536) is 2-benzyl-5-pyridin-4-yl-1,3-thiazole.
What is the SMILES notation for 2-benzyl-5-pyridin-4-yl-1,3-thiazole?
The canonical SMILES for 2-benzyl-5-pyridin-4-yl-1,3-thiazole is c1ccc(Cc2ncc(-c3ccncc3)s2)cc1.
What is the InChIKey of 2-benzyl-5-pyridin-4-yl-1,3-thiazole?
The InChIKey is JWUITUGTFLWDRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2S/c1-2-4-12(5-3-1)10-15-17-11-14(18-15)13-6-8-16-9-7-13/h1-9,11H,10H2.
What are the key properties of 2-benzyl-5-pyridin-4-yl-1,3-thiazole?
2-benzyl-5-pyridin-4-yl-1,3-thiazole has a molecular weight of 252.34 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-pyridin-4-yl-1,3-thiazole is sourced from PubChem (CID 14207536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).