2-benzyl-5-(2-methylphenyl)-4-pyridin-2-yl-1,3-thiazole

C22H18N2S — CID 22911711

IUPAC2-benzyl-5-(2-methylphenyl)-4-pyridin-2-yl-1,3-thiazole
SMILESCc1ccccc1-c1sc(Cc2ccccc2)nc1-c1ccccn1
InChIInChI=1S/C22H18N2S/c1-16-9-5-6-12-18(16)22-21(19-13-7-8-14-23-19)24-20(25-22)15-17-10-3-2-4-11-17/h2-14H,15H2,1H3
InChIKeyXNLYXHJWZJEYBT-UHFFFAOYSA-N
MW342.47 g/mol
LogP5.77
Rot. Bonds4

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

2-benzyl-5-(2-methylphenyl)-4-pyridin-2-yl-1,3-thiazole (PubChem CID 22911711) has the molecular formula C22H18N2S and a molecular weight of 342.47 g/mol. Its IUPAC name is 2-benzyl-5-(2-methylphenyl)-4-pyridin-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2-benzyl-5-(2-methylphenyl)-4-pyridin-2-yl-1,3-thiazole
PubChem CID22911711
Molecular FormulaC22H18N2S
Molecular Weight342.47 g/mol
Exact Mass342.12
IUPAC Name2-benzyl-5-(2-methylphenyl)-4-pyridin-2-yl-1,3-thiazole
SMILESCc1ccccc1-c1sc(Cc2ccccc2)nc1-c1ccccn1
InChIInChI=1S/C22H18N2S/c1-16-9-5-6-12-18(16)22-21(19-13-7-8-14-23-19)24-20(25-22)15-17-10-3-2-4-11-17/h2-14H,15H2,1H3
InChIKeyXNLYXHJWZJEYBT-UHFFFAOYSA-N
XLogP5.77
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.47
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-(2-methylphenyl)-4-pyridin-2-yl-1,3-thiazole?
The IUPAC name of 2-benzyl-5-(2-methylphenyl)-4-pyridin-2-yl-1,3-thiazole (CID 22911711) is 2-benzyl-5-(2-methylphenyl)-4-pyridin-2-yl-1,3-thiazole.
What is the SMILES notation for 2-benzyl-5-(2-methylphenyl)-4-pyridin-2-yl-1,3-thiazole?
The canonical SMILES for 2-benzyl-5-(2-methylphenyl)-4-pyridin-2-yl-1,3-thiazole is Cc1ccccc1-c1sc(Cc2ccccc2)nc1-c1ccccn1.
What is the InChIKey of 2-benzyl-5-(2-methylphenyl)-4-pyridin-2-yl-1,3-thiazole?
The InChIKey is XNLYXHJWZJEYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2S/c1-16-9-5-6-12-18(16)22-21(19-13-7-8-14-23-19)24-20(25-22)15-17-10-3-2-4-11-17/h2-14H,15H2,1H3.
What are the key properties of 2-benzyl-5-(2-methylphenyl)-4-pyridin-2-yl-1,3-thiazole?
2-benzyl-5-(2-methylphenyl)-4-pyridin-2-yl-1,3-thiazole has a molecular weight of 342.47 g/mol, XLogP of 5.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-(2-methylphenyl)-4-pyridin-2-yl-1,3-thiazole is sourced from PubChem (CID 22911711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).