2-methyl-4-[methylsulfinyl(diphenyl)methyl]-1,3-thiazole

C18H17NOS2 — CID 118871472

IUPAC2-methyl-4-[methylsulfinyl(diphenyl)methyl]-1,3-thiazole
SMILESCc1nc(C(c2ccccc2)(c2ccccc2)S(C)=O)cs1
InChIInChI=1S/C18H17NOS2/c1-14-19-17(13-21-14)18(22(2)20,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-13H,1-2H3
InChIKeyRXBOQFIBGKNKIM-UHFFFAOYSA-N
MW327.47 g/mol
LogP4.12
Rot. Bonds4

About 2-methyl-4-[methylsulfinyl(diphenyl)methyl]-1,3-thiazole

2-methyl-4-[methylsulfinyl(diphenyl)methyl]-1,3-thiazole (PubChem CID 118871472) has the molecular formula C18H17NOS2 and a molecular weight of 327.47 g/mol. Its IUPAC name is 2-methyl-4-[methylsulfinyl(diphenyl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-4-[methylsulfinyl(diphenyl)methyl]-1,3-thiazole
PubChem CID118871472
Molecular FormulaC18H17NOS2
Molecular Weight327.47 g/mol
Exact Mass327.08
IUPAC Name2-methyl-4-[methylsulfinyl(diphenyl)methyl]-1,3-thiazole
SMILESCc1nc(C(c2ccccc2)(c2ccccc2)S(C)=O)cs1
InChIInChI=1S/C18H17NOS2/c1-14-19-17(13-21-14)18(22(2)20,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-13H,1-2H3
InChIKeyRXBOQFIBGKNKIM-UHFFFAOYSA-N
XLogP4.12
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[methylsulfinyl(diphenyl)methyl]-1,3-thiazole?
The IUPAC name of 2-methyl-4-[methylsulfinyl(diphenyl)methyl]-1,3-thiazole (CID 118871472) is 2-methyl-4-[methylsulfinyl(diphenyl)methyl]-1,3-thiazole.
What is the SMILES notation for 2-methyl-4-[methylsulfinyl(diphenyl)methyl]-1,3-thiazole?
The canonical SMILES for 2-methyl-4-[methylsulfinyl(diphenyl)methyl]-1,3-thiazole is Cc1nc(C(c2ccccc2)(c2ccccc2)S(C)=O)cs1.
What is the InChIKey of 2-methyl-4-[methylsulfinyl(diphenyl)methyl]-1,3-thiazole?
The InChIKey is RXBOQFIBGKNKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NOS2/c1-14-19-17(13-21-14)18(22(2)20,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-13H,1-2H3.
What are the key properties of 2-methyl-4-[methylsulfinyl(diphenyl)methyl]-1,3-thiazole?
2-methyl-4-[methylsulfinyl(diphenyl)methyl]-1,3-thiazole has a molecular weight of 327.47 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[methylsulfinyl(diphenyl)methyl]-1,3-thiazole is sourced from PubChem (CID 118871472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).