5-[[(S)-[(R)-(4-methylphenyl)-phenylmethyl]sulfinyl]methyl]-1,3-thiazole

C18H17NOS2 — CID 155522684

IUPAC5-[[(S)-[(R)-(4-methylphenyl)-phenylmethyl]sulfinyl]methyl]-1,3-thiazole
SMILESCc1ccc([C@@H](c2ccccc2)[S@@](=O)Cc2cncs2)cc1
InChIInChI=1S/C18H17NOS2/c1-14-7-9-16(10-8-14)18(15-5-3-2-4-6-15)22(20)12-17-11-19-13-21-17/h2-11,13,18H,12H2,1H3/t18-,22+/m1/s1
InChIKeyWMJNCYWJEPGMOC-GCJKJVERSA-N
MW327.47 g/mol
LogP4.49
Rot. Bonds5

About 5-[[(S)-[(R)-(4-methylphenyl)-phenylmethyl]sulfinyl]methyl]-1,3-thiazole

5-[[(S)-[(R)-(4-methylphenyl)-phenylmethyl]sulfinyl]methyl]-1,3-thiazole (PubChem CID 155522684) has the molecular formula C18H17NOS2 and a molecular weight of 327.47 g/mol. Its IUPAC name is 5-[[(S)-[(R)-(4-methylphenyl)-phenylmethyl]sulfinyl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name5-[[(S)-[(R)-(4-methylphenyl)-phenylmethyl]sulfinyl]methyl]-1,3-thiazole
PubChem CID155522684
Molecular FormulaC18H17NOS2
Molecular Weight327.47 g/mol
Exact Mass327.08
IUPAC Name5-[[(S)-[(R)-(4-methylphenyl)-phenylmethyl]sulfinyl]methyl]-1,3-thiazole
SMILESCc1ccc([C@@H](c2ccccc2)[S@@](=O)Cc2cncs2)cc1
InChIInChI=1S/C18H17NOS2/c1-14-7-9-16(10-8-14)18(15-5-3-2-4-6-15)22(20)12-17-11-19-13-21-17/h2-11,13,18H,12H2,1H3/t18-,22+/m1/s1
InChIKeyWMJNCYWJEPGMOC-GCJKJVERSA-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

Analyze 5-[[(S)-[(R)-(4-methylphenyl)-phenylmethyl]sulfinyl]methyl]-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-[[(S)-[(R)-(4-methylphenyl)-phenylmethyl]sulfinyl]methyl]-1,3-thiazole?
The IUPAC name of 5-[[(S)-[(R)-(4-methylphenyl)-phenylmethyl]sulfinyl]methyl]-1,3-thiazole (CID 155522684) is 5-[[(S)-[(R)-(4-methylphenyl)-phenylmethyl]sulfinyl]methyl]-1,3-thiazole.
What is the SMILES notation for 5-[[(S)-[(R)-(4-methylphenyl)-phenylmethyl]sulfinyl]methyl]-1,3-thiazole?
The canonical SMILES for 5-[[(S)-[(R)-(4-methylphenyl)-phenylmethyl]sulfinyl]methyl]-1,3-thiazole is Cc1ccc([C@@H](c2ccccc2)[S@@](=O)Cc2cncs2)cc1.
What is the InChIKey of 5-[[(S)-[(R)-(4-methylphenyl)-phenylmethyl]sulfinyl]methyl]-1,3-thiazole?
The InChIKey is WMJNCYWJEPGMOC-GCJKJVERSA-N. The full InChI is InChI=1S/C18H17NOS2/c1-14-7-9-16(10-8-14)18(15-5-3-2-4-6-15)22(20)12-17-11-19-13-21-17/h2-11,13,18H,12H2,1H3/t18-,22+/m1/s1.
What are the key properties of 5-[[(S)-[(R)-(4-methylphenyl)-phenylmethyl]sulfinyl]methyl]-1,3-thiazole?
5-[[(S)-[(R)-(4-methylphenyl)-phenylmethyl]sulfinyl]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-[[(S)-[(R)-(4-methylphenyl)-phenylmethyl]sulfinyl]methyl]-1,3-thiazole is sourced from PubChem (CID 155522684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).