4-[[(S)-[(S)-(4-bromophenyl)-phenylmethyl]sulfinyl]methyl]-1,3-thiazole

C17H14BrNOS2 — CID 155531187

IUPAC4-[[(S)-[(S)-(4-bromophenyl)-phenylmethyl]sulfinyl]methyl]-1,3-thiazole
SMILESO=[S@@](Cc1cscn1)[C@@H](c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C17H14BrNOS2/c18-15-8-6-14(7-9-15)17(13-4-2-1-3-5-13)22(20)11-16-10-21-12-19-16/h1-10,12,17H,11H2/t17-,22-/m0/s1
InChIKeyAULDNIRJFAYHPL-JTSKRJEESA-N
MW392.34 g/mol
LogP4.94
Rot. Bonds5

About 4-[[(S)-[(S)-(4-bromophenyl)-phenylmethyl]sulfinyl]methyl]-1,3-thiazole

4-[[(S)-[(S)-(4-bromophenyl)-phenylmethyl]sulfinyl]methyl]-1,3-thiazole (PubChem CID 155531187) has the molecular formula C17H14BrNOS2 and a molecular weight of 392.34 g/mol. Its IUPAC name is 4-[[(S)-[(S)-(4-bromophenyl)-phenylmethyl]sulfinyl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[[(S)-[(S)-(4-bromophenyl)-phenylmethyl]sulfinyl]methyl]-1,3-thiazole
PubChem CID155531187
Molecular FormulaC17H14BrNOS2
Molecular Weight392.34 g/mol
Exact Mass390.97
IUPAC Name4-[[(S)-[(S)-(4-bromophenyl)-phenylmethyl]sulfinyl]methyl]-1,3-thiazole
SMILESO=[S@@](Cc1cscn1)[C@@H](c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C17H14BrNOS2/c18-15-8-6-14(7-9-15)17(13-4-2-1-3-5-13)22(20)11-16-10-21-12-19-16/h1-10,12,17H,11H2/t17-,22-/m0/s1
InChIKeyAULDNIRJFAYHPL-JTSKRJEESA-N
XLogP4.94
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.34
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(Benzhydrylsulfinylmethyl)-1,3-thiazole
CID 118871470
5-[[(S)-[(R)-(4-bromophenyl)-phenylmethyl]sulfinyl]methyl]-1,3-thiazole
CID 155510548
4-[Bis(4-methylphenyl)methylsulfinylmethyl]-1,3-thiazole
CID 155512091
4-(Benzhydrylsulfinylmethyl)-2-chloro-1,3-thiazole
CID 155512328
5-[[(R)-[(R)-(4-bromophenyl)-phenylmethyl]sulfinyl]methyl]-1,3-thiazole
CID 155513656
4-[Bis(4-fluorophenyl)methylsulfinylmethyl]-1,3-thiazole
CID 155515202
4-[[(R)-[(R)-(4-bromophenyl)-phenylmethyl]sulfinyl]methyl]-1,3-thiazole
CID 155536435
4-[[(S)-[(R)-(4-bromophenyl)-phenylmethyl]sulfinyl]methyl]-1,3-thiazole
CID 155554773
5-[[(S)-[(S)-(4-bromophenyl)-phenylmethyl]sulfinyl]methyl]-1,3-thiazole
CID 155558516
4-[[(4-Bromophenyl)-phenylmethyl]sulfinylmethyl]-1,3-thiazole
CID 155569039
5-[[(R)-[(S)-(4-bromophenyl)-phenylmethyl]sulfinyl]methyl]-1,3-thiazole
CID 155515352
4-[[(R)-[(S)-(4-bromophenyl)-phenylmethyl]sulfinyl]methyl]-1,3-thiazole
CID 155519210

Frequently Asked Questions

What is the IUPAC name of 4-[[(S)-[(S)-(4-bromophenyl)-phenylmethyl]sulfinyl]methyl]-1,3-thiazole?
The IUPAC name of 4-[[(S)-[(S)-(4-bromophenyl)-phenylmethyl]sulfinyl]methyl]-1,3-thiazole (CID 155531187) is 4-[[(S)-[(S)-(4-bromophenyl)-phenylmethyl]sulfinyl]methyl]-1,3-thiazole.
What is the SMILES notation for 4-[[(S)-[(S)-(4-bromophenyl)-phenylmethyl]sulfinyl]methyl]-1,3-thiazole?
The canonical SMILES for 4-[[(S)-[(S)-(4-bromophenyl)-phenylmethyl]sulfinyl]methyl]-1,3-thiazole is O=[S@@](Cc1cscn1)[C@@H](c1ccccc1)c1ccc(Br)cc1.
What is the InChIKey of 4-[[(S)-[(S)-(4-bromophenyl)-phenylmethyl]sulfinyl]methyl]-1,3-thiazole?
The InChIKey is AULDNIRJFAYHPL-JTSKRJEESA-N. The full InChI is InChI=1S/C17H14BrNOS2/c18-15-8-6-14(7-9-15)17(13-4-2-1-3-5-13)22(20)11-16-10-21-12-19-16/h1-10,12,17H,11H2/t17-,22-/m0/s1.
What are the key properties of 4-[[(S)-[(S)-(4-bromophenyl)-phenylmethyl]sulfinyl]methyl]-1,3-thiazole?
4-[[(S)-[(S)-(4-bromophenyl)-phenylmethyl]sulfinyl]methyl]-1,3-thiazole has a molecular weight of 392.34 g/mol, XLogP of 4.94, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(S)-[(S)-(4-bromophenyl)-phenylmethyl]sulfinyl]methyl]-1,3-thiazole is sourced from PubChem (CID 155531187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).