2-[bis(4-chlorophenyl)methylsulfinylmethyl]-1,3-thiazole

C17H13Cl2NOS2 — CID 155522764

IUPAC2-[bis(4-chlorophenyl)methylsulfinylmethyl]-1,3-thiazole
SMILESO=S(Cc1nccs1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H13Cl2NOS2/c18-14-5-1-12(2-6-14)17(13-3-7-15(19)8-4-13)23(21)11-16-20-9-10-22-16/h1-10,17H,11H2
InChIKeyAMPASYLFRDOKST-UHFFFAOYSA-N
MW382.34 g/mol
LogP5.49
Rot. Bonds5

About 2-[bis(4-chlorophenyl)methylsulfinylmethyl]-1,3-thiazole

2-[bis(4-chlorophenyl)methylsulfinylmethyl]-1,3-thiazole (PubChem CID 155522764) has the molecular formula C17H13Cl2NOS2 and a molecular weight of 382.34 g/mol. Its IUPAC name is 2-[bis(4-chlorophenyl)methylsulfinylmethyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[bis(4-chlorophenyl)methylsulfinylmethyl]-1,3-thiazole
PubChem CID155522764
Molecular FormulaC17H13Cl2NOS2
Molecular Weight382.34 g/mol
Exact Mass380.98
IUPAC Name2-[bis(4-chlorophenyl)methylsulfinylmethyl]-1,3-thiazole
SMILESO=S(Cc1nccs1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H13Cl2NOS2/c18-14-5-1-12(2-6-14)17(13-3-7-15(19)8-4-13)23(21)11-16-20-9-10-22-16/h1-10,17H,11H2
InChIKeyAMPASYLFRDOKST-UHFFFAOYSA-N
XLogP5.49
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.34
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[(S)-bis(4-chlorophenyl)methylsulfinyl]methyl]-1,3-thiazole
CID 155525160
5-[[(S)-[(R)-(4-chlorophenyl)-phenylmethyl]sulfinyl]methyl]-1,3-thiazole
CID 155527331
5-[[(R)-[(R)-(4-chlorophenyl)-phenylmethyl]sulfinyl]methyl]-1,3-thiazole
CID 155529810
5-[[(S)-[(S)-(4-chlorophenyl)-phenylmethyl]sulfinyl]methyl]-1,3-thiazole
CID 155534211
5-[Bis(4-chlorophenyl)methylsulfinylmethyl]-1,3-thiazole
CID 155560376
4-[Bis(4-chlorophenyl)methylsulfinylmethyl]-1,3-thiazole
CID 155565910
5-(4-Chlorophenyl)-2-[[3-(trifluoromethyl)phenyl]methylsulfonylmethyl]-1,3-thiazole
CID 2743885
2-(Benzhydrylsulfinylmethyl)-1,3-thiazole
CID 118871454
5-(Benzhydrylsulfinylmethyl)-2-chloro-1,3-thiazole
CID 118871458
5-[[(R)-bis(4-chlorophenyl)methylsulfinyl]methyl]-1,3-thiazole
CID 155513983
2-[Bis(4-methylphenyl)methylsulfinylmethyl]-1,3-thiazole
CID 155532365
5-[[(R)-[(S)-(4-chlorophenyl)-phenylmethyl]sulfinyl]methyl]-1,3-thiazole
CID 155566487

Frequently Asked Questions

What is the IUPAC name of 2-[bis(4-chlorophenyl)methylsulfinylmethyl]-1,3-thiazole?
The IUPAC name of 2-[bis(4-chlorophenyl)methylsulfinylmethyl]-1,3-thiazole (CID 155522764) is 2-[bis(4-chlorophenyl)methylsulfinylmethyl]-1,3-thiazole.
What is the SMILES notation for 2-[bis(4-chlorophenyl)methylsulfinylmethyl]-1,3-thiazole?
The canonical SMILES for 2-[bis(4-chlorophenyl)methylsulfinylmethyl]-1,3-thiazole is O=S(Cc1nccs1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 2-[bis(4-chlorophenyl)methylsulfinylmethyl]-1,3-thiazole?
The InChIKey is AMPASYLFRDOKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2NOS2/c18-14-5-1-12(2-6-14)17(13-3-7-15(19)8-4-13)23(21)11-16-20-9-10-22-16/h1-10,17H,11H2.
What are the key properties of 2-[bis(4-chlorophenyl)methylsulfinylmethyl]-1,3-thiazole?
2-[bis(4-chlorophenyl)methylsulfinylmethyl]-1,3-thiazole has a molecular weight of 382.34 g/mol, XLogP of 5.49, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(4-chlorophenyl)methylsulfinylmethyl]-1,3-thiazole is sourced from PubChem (CID 155522764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).