5-[[(S)-bis(4-chlorophenyl)methylsulfinyl]methyl]-1,3-thiazole

C17H13Cl2NOS2 — CID 155525160

IUPAC5-[[(S)-bis(4-chlorophenyl)methylsulfinyl]methyl]-1,3-thiazole
SMILESO=[S@@](Cc1cncs1)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)10-16-9-20-11-22-16/h1-9,11,17H,10H2/t23-/m0/s1
InChIKeyUNTYRKADMROVJO-QHCPKHFHSA-N
MW382.34 g/mol
LogP5.49
Rot. Bonds5

About 5-[[(S)-bis(4-chlorophenyl)methylsulfinyl]methyl]-1,3-thiazole

5-[[(S)-bis(4-chlorophenyl)methylsulfinyl]methyl]-1,3-thiazole (PubChem CID 155525160) has the molecular formula C17H13Cl2NOS2 and a molecular weight of 382.34 g/mol. Its IUPAC name is 5-[[(S)-bis(4-chlorophenyl)methylsulfinyl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name5-[[(S)-bis(4-chlorophenyl)methylsulfinyl]methyl]-1,3-thiazole
PubChem CID155525160
Molecular FormulaC17H13Cl2NOS2
Molecular Weight382.34 g/mol
Exact Mass380.98
IUPAC Name5-[[(S)-bis(4-chlorophenyl)methylsulfinyl]methyl]-1,3-thiazole
SMILESO=[S@@](Cc1cncs1)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)10-16-9-20-11-22-16/h1-9,11,17H,10H2/t23-/m0/s1
InChIKeyUNTYRKADMROVJO-QHCPKHFHSA-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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Frequently Asked Questions

What is the IUPAC name of 5-[[(S)-bis(4-chlorophenyl)methylsulfinyl]methyl]-1,3-thiazole?
The IUPAC name of 5-[[(S)-bis(4-chlorophenyl)methylsulfinyl]methyl]-1,3-thiazole (CID 155525160) is 5-[[(S)-bis(4-chlorophenyl)methylsulfinyl]methyl]-1,3-thiazole.
What is the SMILES notation for 5-[[(S)-bis(4-chlorophenyl)methylsulfinyl]methyl]-1,3-thiazole?
The canonical SMILES for 5-[[(S)-bis(4-chlorophenyl)methylsulfinyl]methyl]-1,3-thiazole is O=[S@@](Cc1cncs1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 5-[[(S)-bis(4-chlorophenyl)methylsulfinyl]methyl]-1,3-thiazole?
The InChIKey is UNTYRKADMROVJO-QHCPKHFHSA-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)10-16-9-20-11-22-16/h1-9,11,17H,10H2/t23-/m0/s1.
What are the key properties of 5-[[(S)-bis(4-chlorophenyl)methylsulfinyl]methyl]-1,3-thiazole?
5-[[(S)-bis(4-chlorophenyl)methylsulfinyl]methyl]-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 5-[[(S)-bis(4-chlorophenyl)methylsulfinyl]methyl]-1,3-thiazole is sourced from PubChem (CID 155525160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).