5-[bis(4-methylphenyl)methylsulfinylmethyl]-1,3-thiazole

C19H19NOS2 — CID 155517422

IUPAC5-[bis(4-methylphenyl)methylsulfinylmethyl]-1,3-thiazole
SMILESCc1ccc(C(c2ccc(C)cc2)S(=O)Cc2cncs2)cc1
InChIInChI=1S/C19H19NOS2/c1-14-3-7-16(8-4-14)19(17-9-5-15(2)6-10-17)23(21)12-18-11-20-13-22-18/h3-11,13,19H,12H2,1-2H3
InChIKeyXQKZXULTJKQITC-UHFFFAOYSA-N
MW341.50 g/mol
LogP4.80
Rot. Bonds5

About 5-[bis(4-methylphenyl)methylsulfinylmethyl]-1,3-thiazole

5-[bis(4-methylphenyl)methylsulfinylmethyl]-1,3-thiazole (PubChem CID 155517422) has the molecular formula C19H19NOS2 and a molecular weight of 341.50 g/mol. Its IUPAC name is 5-[bis(4-methylphenyl)methylsulfinylmethyl]-1,3-thiazole.

Molecular Properties

Compound Name5-[bis(4-methylphenyl)methylsulfinylmethyl]-1,3-thiazole
PubChem CID155517422
Molecular FormulaC19H19NOS2
Molecular Weight341.50 g/mol
Exact Mass341.09
IUPAC Name5-[bis(4-methylphenyl)methylsulfinylmethyl]-1,3-thiazole
SMILESCc1ccc(C(c2ccc(C)cc2)S(=O)Cc2cncs2)cc1
InChIInChI=1S/C19H19NOS2/c1-14-3-7-16(8-4-14)19(17-9-5-15(2)6-10-17)23(21)12-18-11-20-13-22-18/h3-11,13,19H,12H2,1-2H3
InChIKeyXQKZXULTJKQITC-UHFFFAOYSA-N
XLogP4.80
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[bis(4-methylphenyl)methylsulfinylmethyl]-1,3-thiazole?
The IUPAC name of 5-[bis(4-methylphenyl)methylsulfinylmethyl]-1,3-thiazole (CID 155517422) is 5-[bis(4-methylphenyl)methylsulfinylmethyl]-1,3-thiazole.
What is the SMILES notation for 5-[bis(4-methylphenyl)methylsulfinylmethyl]-1,3-thiazole?
The canonical SMILES for 5-[bis(4-methylphenyl)methylsulfinylmethyl]-1,3-thiazole is Cc1ccc(C(c2ccc(C)cc2)S(=O)Cc2cncs2)cc1.
What is the InChIKey of 5-[bis(4-methylphenyl)methylsulfinylmethyl]-1,3-thiazole?
The InChIKey is XQKZXULTJKQITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NOS2/c1-14-3-7-16(8-4-14)19(17-9-5-15(2)6-10-17)23(21)12-18-11-20-13-22-18/h3-11,13,19H,12H2,1-2H3.
What are the key properties of 5-[bis(4-methylphenyl)methylsulfinylmethyl]-1,3-thiazole?
5-[bis(4-methylphenyl)methylsulfinylmethyl]-1,3-thiazole has a molecular weight of 341.50 g/mol, XLogP of 4.80, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[bis(4-methylphenyl)methylsulfinylmethyl]-1,3-thiazole is sourced from PubChem (CID 155517422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).