2-(4-methylsulfanylphenyl)-4-pyridin-2-yl-1,3-thiazole

C15H12N2S2 — CID 177474050

IUPAC2-(4-methylsulfanylphenyl)-4-pyridin-2-yl-1,3-thiazole
SMILESCSc1ccc(-c2nc(-c3ccccn3)cs2)cc1
InChIInChI=1S/C15H12N2S2/c1-18-12-7-5-11(6-8-12)15-17-14(10-19-15)13-4-2-3-9-16-13/h2-10H,1H3
InChIKeyBMNSSGKFCXFXCW-UHFFFAOYSA-N
MW284.41 g/mol
LogP4.59
Rot. Bonds3

About 2-(4-methylsulfanylphenyl)-4-pyridin-2-yl-1,3-thiazole

2-(4-methylsulfanylphenyl)-4-pyridin-2-yl-1,3-thiazole (PubChem CID 177474050) has the molecular formula C15H12N2S2 and a molecular weight of 284.41 g/mol. Its IUPAC name is 2-(4-methylsulfanylphenyl)-4-pyridin-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2-(4-methylsulfanylphenyl)-4-pyridin-2-yl-1,3-thiazole
PubChem CID177474050
Molecular FormulaC15H12N2S2
Molecular Weight284.41 g/mol
Exact Mass284.04
IUPAC Name2-(4-methylsulfanylphenyl)-4-pyridin-2-yl-1,3-thiazole
SMILESCSc1ccc(-c2nc(-c3ccccn3)cs2)cc1
InChIInChI=1S/C15H12N2S2/c1-18-12-7-5-11(6-8-12)15-17-14(10-19-15)13-4-2-3-9-16-13/h2-10H,1H3
InChIKeyBMNSSGKFCXFXCW-UHFFFAOYSA-N
XLogP4.59
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfanylphenyl)-4-pyridin-2-yl-1,3-thiazole?
The IUPAC name of 2-(4-methylsulfanylphenyl)-4-pyridin-2-yl-1,3-thiazole (CID 177474050) is 2-(4-methylsulfanylphenyl)-4-pyridin-2-yl-1,3-thiazole.
What is the SMILES notation for 2-(4-methylsulfanylphenyl)-4-pyridin-2-yl-1,3-thiazole?
The canonical SMILES for 2-(4-methylsulfanylphenyl)-4-pyridin-2-yl-1,3-thiazole is CSc1ccc(-c2nc(-c3ccccn3)cs2)cc1.
What is the InChIKey of 2-(4-methylsulfanylphenyl)-4-pyridin-2-yl-1,3-thiazole?
The InChIKey is BMNSSGKFCXFXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2S2/c1-18-12-7-5-11(6-8-12)15-17-14(10-19-15)13-4-2-3-9-16-13/h2-10H,1H3.
What are the key properties of 2-(4-methylsulfanylphenyl)-4-pyridin-2-yl-1,3-thiazole?
2-(4-methylsulfanylphenyl)-4-pyridin-2-yl-1,3-thiazole has a molecular weight of 284.41 g/mol, XLogP of 4.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfanylphenyl)-4-pyridin-2-yl-1,3-thiazole is sourced from PubChem (CID 177474050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).