4-phenyl-2-(pyridin-2-ylmethylsulfanyl)-1,3-thiazole

C15H12N2S2 — CID 71899247

IUPAC4-phenyl-2-(pyridin-2-ylmethylsulfanyl)-1,3-thiazole
SMILESc1ccc(-c2csc(SCc3ccccn3)n2)cc1
InChIInChI=1S/C15H12N2S2/c1-2-6-12(7-3-1)14-11-19-15(17-14)18-10-13-8-4-5-9-16-13/h1-9,11H,10H2
InChIKeyIOLHUCDBGWTFHF-UHFFFAOYSA-N
MW284.41 g/mol
LogP4.50
Rot. Bonds4

About 4-phenyl-2-(pyridin-2-ylmethylsulfanyl)-1,3-thiazole

4-phenyl-2-(pyridin-2-ylmethylsulfanyl)-1,3-thiazole (PubChem CID 71899247) has the molecular formula C15H12N2S2 and a molecular weight of 284.41 g/mol. Its IUPAC name is 4-phenyl-2-(pyridin-2-ylmethylsulfanyl)-1,3-thiazole.

Molecular Properties

Compound Name4-phenyl-2-(pyridin-2-ylmethylsulfanyl)-1,3-thiazole
PubChem CID71899247
Molecular FormulaC15H12N2S2
Molecular Weight284.41 g/mol
Exact Mass284.04
IUPAC Name4-phenyl-2-(pyridin-2-ylmethylsulfanyl)-1,3-thiazole
SMILESc1ccc(-c2csc(SCc3ccccn3)n2)cc1
InChIInChI=1S/C15H12N2S2/c1-2-6-12(7-3-1)14-11-19-15(17-14)18-10-13-8-4-5-9-16-13/h1-9,11H,10H2
InChIKeyIOLHUCDBGWTFHF-UHFFFAOYSA-N
XLogP4.50
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-phenyl-2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]-1,3-thiazole
CID 24618705
4-phenyl-2-(pyridin-2-ylmethyl)-1,3-thiazole
CID 31263387
1-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propan-2-amine;hydrochloride
CID 21478143
(2R)-1-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propan-2-amine;hydrochloride
CID 67771453
2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 51216012
2-[[4-(pyridin-2-ylmethylsulfanyl)phenyl]sulfanylmethyl]pyridine
CID 86021150
2-[(4-phenyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,3-benzoxazole
CID 9484079
5-chloro-4-[(4-phenyl-1,3-thiazol-2-yl)sulfanylmethyl]thiadiazole
CID 33001886
2-methyl-5-(pyridin-2-ylmethylsulfanyl)-1,3,4-thiadiazole
CID 4069691
2-(pyridin-2-ylmethylsulfanylmethyl)pyridine
CID 12047870
N-(methylcarbamoyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 3959134
2-[(5-methylsulfonylfuran-2-yl)methylsulfanyl]-4-phenyl-1,3-thiazole
CID 166367974

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-(pyridin-2-ylmethylsulfanyl)-1,3-thiazole?
The IUPAC name of 4-phenyl-2-(pyridin-2-ylmethylsulfanyl)-1,3-thiazole (CID 71899247) is 4-phenyl-2-(pyridin-2-ylmethylsulfanyl)-1,3-thiazole.
What is the SMILES notation for 4-phenyl-2-(pyridin-2-ylmethylsulfanyl)-1,3-thiazole?
The canonical SMILES for 4-phenyl-2-(pyridin-2-ylmethylsulfanyl)-1,3-thiazole is c1ccc(-c2csc(SCc3ccccn3)n2)cc1.
What is the InChIKey of 4-phenyl-2-(pyridin-2-ylmethylsulfanyl)-1,3-thiazole?
The InChIKey is IOLHUCDBGWTFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2S2/c1-2-6-12(7-3-1)14-11-19-15(17-14)18-10-13-8-4-5-9-16-13/h1-9,11H,10H2.
What are the key properties of 4-phenyl-2-(pyridin-2-ylmethylsulfanyl)-1,3-thiazole?
4-phenyl-2-(pyridin-2-ylmethylsulfanyl)-1,3-thiazole has a molecular weight of 284.41 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-(pyridin-2-ylmethylsulfanyl)-1,3-thiazole is sourced from PubChem (CID 71899247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).