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

C19H19NO3S2 — CID 155524272

IUPAC5-[bis(4-methoxyphenyl)methylsulfinylmethyl]-1,3-thiazole
SMILESCOc1ccc(C(c2ccc(OC)cc2)S(=O)Cc2cncs2)cc1
InChIInChI=1S/C19H19NO3S2/c1-22-16-7-3-14(4-8-16)19(15-5-9-17(23-2)10-6-15)25(21)12-18-11-20-13-24-18/h3-11,13,19H,12H2,1-2H3
InChIKeyHSWOQDUPZXRKDS-UHFFFAOYSA-N
MW373.50 g/mol
LogP4.20
Rot. Bonds7

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

5-[bis(4-methoxyphenyl)methylsulfinylmethyl]-1,3-thiazole (PubChem CID 155524272) has the molecular formula C19H19NO3S2 and a molecular weight of 373.50 g/mol. Its IUPAC name is 5-[bis(4-methoxyphenyl)methylsulfinylmethyl]-1,3-thiazole.

Molecular Properties

Compound Name5-[bis(4-methoxyphenyl)methylsulfinylmethyl]-1,3-thiazole
PubChem CID155524272
Molecular FormulaC19H19NO3S2
Molecular Weight373.50 g/mol
Exact Mass373.08
IUPAC Name5-[bis(4-methoxyphenyl)methylsulfinylmethyl]-1,3-thiazole
SMILESCOc1ccc(C(c2ccc(OC)cc2)S(=O)Cc2cncs2)cc1
InChIInChI=1S/C19H19NO3S2/c1-22-16-7-3-14(4-8-16)19(15-5-9-17(23-2)10-6-15)25(21)12-18-11-20-13-24-18/h3-11,13,19H,12H2,1-2H3
InChIKeyHSWOQDUPZXRKDS-UHFFFAOYSA-N
XLogP4.20
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[bis(4-methoxyphenyl)methylsulfinylmethyl]-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[bis(4-methoxyphenyl)methylsulfinylmethyl]-1,3-thiazole?
The IUPAC name of 5-[bis(4-methoxyphenyl)methylsulfinylmethyl]-1,3-thiazole (CID 155524272) is 5-[bis(4-methoxyphenyl)methylsulfinylmethyl]-1,3-thiazole.
What is the SMILES notation for 5-[bis(4-methoxyphenyl)methylsulfinylmethyl]-1,3-thiazole?
The canonical SMILES for 5-[bis(4-methoxyphenyl)methylsulfinylmethyl]-1,3-thiazole is COc1ccc(C(c2ccc(OC)cc2)S(=O)Cc2cncs2)cc1.
What is the InChIKey of 5-[bis(4-methoxyphenyl)methylsulfinylmethyl]-1,3-thiazole?
The InChIKey is HSWOQDUPZXRKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3S2/c1-22-16-7-3-14(4-8-16)19(15-5-9-17(23-2)10-6-15)25(21)12-18-11-20-13-24-18/h3-11,13,19H,12H2,1-2H3.
What are the key properties of 5-[bis(4-methoxyphenyl)methylsulfinylmethyl]-1,3-thiazole?
5-[bis(4-methoxyphenyl)methylsulfinylmethyl]-1,3-thiazole has a molecular weight of 373.50 g/mol, XLogP of 4.20, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[bis(4-methoxyphenyl)methylsulfinylmethyl]-1,3-thiazole is sourced from PubChem (CID 155524272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).