5-[[(R)-(3-bromophenyl)-phenylmethyl]sulfanylmethyl]-1,3-thiazole

C17H14BrNS2 — CID 175708552

IUPAC5-[[(R)-(3-bromophenyl)-phenylmethyl]sulfanylmethyl]-1,3-thiazole
SMILESBrc1cccc([C@H](SCc2cncs2)c2ccccc2)c1
InChIInChI=1S/C17H14BrNS2/c18-15-8-4-7-14(9-15)17(13-5-2-1-3-6-13)20-11-16-10-19-12-21-16/h1-10,12,17H,11H2/t17-/m1/s1
InChIKeyINBNKOWCXDVCMV-QGZVFWFLSA-N
MW376.34 g/mol
LogP5.93
Rot. Bonds5

About 5-[[(R)-(3-bromophenyl)-phenylmethyl]sulfanylmethyl]-1,3-thiazole

5-[[(R)-(3-bromophenyl)-phenylmethyl]sulfanylmethyl]-1,3-thiazole (PubChem CID 175708552) has the molecular formula C17H14BrNS2 and a molecular weight of 376.34 g/mol. Its IUPAC name is 5-[[(R)-(3-bromophenyl)-phenylmethyl]sulfanylmethyl]-1,3-thiazole.

Molecular Properties

Compound Name5-[[(R)-(3-bromophenyl)-phenylmethyl]sulfanylmethyl]-1,3-thiazole
PubChem CID175708552
Molecular FormulaC17H14BrNS2
Molecular Weight376.34 g/mol
Exact Mass374.98
IUPAC Name5-[[(R)-(3-bromophenyl)-phenylmethyl]sulfanylmethyl]-1,3-thiazole
SMILESBrc1cccc([C@H](SCc2cncs2)c2ccccc2)c1
InChIInChI=1S/C17H14BrNS2/c18-15-8-4-7-14(9-15)17(13-5-2-1-3-6-13)20-11-16-10-19-12-21-16/h1-10,12,17H,11H2/t17-/m1/s1
InChIKeyINBNKOWCXDVCMV-QGZVFWFLSA-N
XLogP5.93
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.34
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromophenyl)-3-(1,3-thiazol-5-yl)propanoic acid
CID 112641517
5-[2-(3-bromophenyl)-3-chloropropyl]-1,3-thiazole
CID 112645361
1-(3-bromophenyl)sulfanyl-3-(1,3-thiazol-5-yl)propan-2-ol
CID 112642587
5-(3-bromo-2-methyl-3-phenylpropyl)-1,3-thiazole
CID 104846594
(1R)-1-phenyl-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 81351888
N-ethyl-1-[3-(1,3-thiazol-5-ylmethylsulfanyl)phenyl]ethanamine
CID 112644505
5-methyl-2-(1,3-thiazol-5-ylmethylsulfanyl)aniline
CID 112640823
1-phenyl-4-(1,3-thiazol-5-yl)butan-1-ol
CID 112644716
1-bromo-3-(2-bromo-1-phenylethyl)benzene
CID 151109917
(2R,3S)-2-(3-bromophenyl)-5-hydroxy-3-(1,3-thiazol-5-yl)pentanenitrile
CID 125495151
(2S,3S)-2-(3-bromophenyl)-5-hydroxy-3-(1,3-thiazol-5-yl)pentanenitrile
CID 125495150
1-phenyl-1-pyridin-4-yl-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 115732172

Frequently Asked Questions

What is the IUPAC name of 5-[[(R)-(3-bromophenyl)-phenylmethyl]sulfanylmethyl]-1,3-thiazole?
The IUPAC name of 5-[[(R)-(3-bromophenyl)-phenylmethyl]sulfanylmethyl]-1,3-thiazole (CID 175708552) is 5-[[(R)-(3-bromophenyl)-phenylmethyl]sulfanylmethyl]-1,3-thiazole.
What is the SMILES notation for 5-[[(R)-(3-bromophenyl)-phenylmethyl]sulfanylmethyl]-1,3-thiazole?
The canonical SMILES for 5-[[(R)-(3-bromophenyl)-phenylmethyl]sulfanylmethyl]-1,3-thiazole is Brc1cccc([C@H](SCc2cncs2)c2ccccc2)c1.
What is the InChIKey of 5-[[(R)-(3-bromophenyl)-phenylmethyl]sulfanylmethyl]-1,3-thiazole?
The InChIKey is INBNKOWCXDVCMV-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H14BrNS2/c18-15-8-4-7-14(9-15)17(13-5-2-1-3-6-13)20-11-16-10-19-12-21-16/h1-10,12,17H,11H2/t17-/m1/s1.
What are the key properties of 5-[[(R)-(3-bromophenyl)-phenylmethyl]sulfanylmethyl]-1,3-thiazole?
5-[[(R)-(3-bromophenyl)-phenylmethyl]sulfanylmethyl]-1,3-thiazole has a molecular weight of 376.34 g/mol, XLogP of 5.93, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(R)-(3-bromophenyl)-phenylmethyl]sulfanylmethyl]-1,3-thiazole is sourced from PubChem (CID 175708552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).