5-(benzhydrylsulfinylmethyl)-2-methyl-1,3-thiazole

C18H17NOS2 — CID 118871447

IUPAC5-(benzhydrylsulfinylmethyl)-2-methyl-1,3-thiazole
SMILESCc1ncc(CS(=O)C(c2ccccc2)c2ccccc2)s1
InChIInChI=1S/C18H17NOS2/c1-14-19-12-17(21-14)13-22(20)18(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-12,18H,13H2,1H3
InChIKeyRZAUVXHOZPLEHC-UHFFFAOYSA-N
MW327.47 g/mol
LogP4.49
Rot. Bonds5

About 5-(benzhydrylsulfinylmethyl)-2-methyl-1,3-thiazole

5-(benzhydrylsulfinylmethyl)-2-methyl-1,3-thiazole (PubChem CID 118871447) has the molecular formula C18H17NOS2 and a molecular weight of 327.47 g/mol. Its IUPAC name is 5-(benzhydrylsulfinylmethyl)-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-(benzhydrylsulfinylmethyl)-2-methyl-1,3-thiazole
PubChem CID118871447
Molecular FormulaC18H17NOS2
Molecular Weight327.47 g/mol
Exact Mass327.08
IUPAC Name5-(benzhydrylsulfinylmethyl)-2-methyl-1,3-thiazole
SMILESCc1ncc(CS(=O)C(c2ccccc2)c2ccccc2)s1
InChIInChI=1S/C18H17NOS2/c1-14-19-12-17(21-14)13-22(20)18(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-12,18H,13H2,1H3
InChIKeyRZAUVXHOZPLEHC-UHFFFAOYSA-N
XLogP4.49
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(benzhydrylsulfinylmethyl)-2-methyl-1,3-thiazole?
The IUPAC name of 5-(benzhydrylsulfinylmethyl)-2-methyl-1,3-thiazole (CID 118871447) is 5-(benzhydrylsulfinylmethyl)-2-methyl-1,3-thiazole.
What is the SMILES notation for 5-(benzhydrylsulfinylmethyl)-2-methyl-1,3-thiazole?
The canonical SMILES for 5-(benzhydrylsulfinylmethyl)-2-methyl-1,3-thiazole is Cc1ncc(CS(=O)C(c2ccccc2)c2ccccc2)s1.
What is the InChIKey of 5-(benzhydrylsulfinylmethyl)-2-methyl-1,3-thiazole?
The InChIKey is RZAUVXHOZPLEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NOS2/c1-14-19-12-17(21-14)13-22(20)18(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-12,18H,13H2,1H3.
What are the key properties of 5-(benzhydrylsulfinylmethyl)-2-methyl-1,3-thiazole?
5-(benzhydrylsulfinylmethyl)-2-methyl-1,3-thiazole has a molecular weight of 327.47 g/mol, XLogP of 4.49, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzhydrylsulfinylmethyl)-2-methyl-1,3-thiazole is sourced from PubChem (CID 118871447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).