4-(benzhydrylsulfinylmethyl)-1,3-thiazole

C17H15NOS2 — CID 118871470

IUPAC4-(benzhydrylsulfinylmethyl)-1,3-thiazole
SMILESO=S(Cc1cscn1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H15NOS2/c19-21(12-16-11-20-13-18-16)17(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-11,13,17H,12H2
InChIKeyKLHJHVBLTMXYLM-UHFFFAOYSA-N
MW313.45 g/mol
LogP4.18
Rot. Bonds5

About 4-(benzhydrylsulfinylmethyl)-1,3-thiazole

4-(benzhydrylsulfinylmethyl)-1,3-thiazole (PubChem CID 118871470) has the molecular formula C17H15NOS2 and a molecular weight of 313.45 g/mol. Its IUPAC name is 4-(benzhydrylsulfinylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(benzhydrylsulfinylmethyl)-1,3-thiazole
PubChem CID118871470
Molecular FormulaC17H15NOS2
Molecular Weight313.45 g/mol
Exact Mass313.06
IUPAC Name4-(benzhydrylsulfinylmethyl)-1,3-thiazole
SMILESO=S(Cc1cscn1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H15NOS2/c19-21(12-16-11-20-13-18-16)17(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-11,13,17H,12H2
InChIKeyKLHJHVBLTMXYLM-UHFFFAOYSA-N
XLogP4.18
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(benzhydrylsulfinylmethyl)-1,3-thiazole?
The IUPAC name of 4-(benzhydrylsulfinylmethyl)-1,3-thiazole (CID 118871470) is 4-(benzhydrylsulfinylmethyl)-1,3-thiazole.
What is the SMILES notation for 4-(benzhydrylsulfinylmethyl)-1,3-thiazole?
The canonical SMILES for 4-(benzhydrylsulfinylmethyl)-1,3-thiazole is O=S(Cc1cscn1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-(benzhydrylsulfinylmethyl)-1,3-thiazole?
The InChIKey is KLHJHVBLTMXYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NOS2/c19-21(12-16-11-20-13-18-16)17(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-11,13,17H,12H2.
What are the key properties of 4-(benzhydrylsulfinylmethyl)-1,3-thiazole?
4-(benzhydrylsulfinylmethyl)-1,3-thiazole has a molecular weight of 313.45 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzhydrylsulfinylmethyl)-1,3-thiazole is sourced from PubChem (CID 118871470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).