1-(3-bromophenyl)sulfanyl-3-(1,3-thiazol-5-yl)propan-2-ol

C12H12BrNOS2 — CID 112642587

IUPAC1-(3-bromophenyl)sulfanyl-3-(1,3-thiazol-5-yl)propan-2-ol
SMILESOC(CSc1cccc(Br)c1)Cc1cncs1
InChIInChI=1S/C12H12BrNOS2/c13-9-2-1-3-11(4-9)16-7-10(15)5-12-6-14-8-17-12/h1-4,6,8,10,15H,5,7H2
InChIKeyWGLHSDUARNJUDV-UHFFFAOYSA-N
MW330.27 g/mol
LogP3.60
Rot. Bonds5

About 1-(3-bromophenyl)sulfanyl-3-(1,3-thiazol-5-yl)propan-2-ol

1-(3-bromophenyl)sulfanyl-3-(1,3-thiazol-5-yl)propan-2-ol (PubChem CID 112642587) has the molecular formula C12H12BrNOS2 and a molecular weight of 330.27 g/mol. Its IUPAC name is 1-(3-bromophenyl)sulfanyl-3-(1,3-thiazol-5-yl)propan-2-ol.

Molecular Properties

Compound Name1-(3-bromophenyl)sulfanyl-3-(1,3-thiazol-5-yl)propan-2-ol
PubChem CID112642587
Molecular FormulaC12H12BrNOS2
Molecular Weight330.27 g/mol
Exact Mass328.95
IUPAC Name1-(3-bromophenyl)sulfanyl-3-(1,3-thiazol-5-yl)propan-2-ol
SMILESOC(CSc1cccc(Br)c1)Cc1cncs1
InChIInChI=1S/C12H12BrNOS2/c13-9-2-1-3-11(4-9)16-7-10(15)5-12-6-14-8-17-12/h1-4,6,8,10,15H,5,7H2
InChIKeyWGLHSDUARNJUDV-UHFFFAOYSA-N
XLogP3.60
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.27
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-bromophenyl)sulfanyl-3-(1,3-thiazol-5-yl)propan-2-ol
CID 112642586
1-(3-bromophenyl)sulfanyl-4-methylpentan-2-ol
CID 66159590
2-(3-bromophenyl)-3-(1,3-thiazol-5-yl)propanoic acid
CID 112641517
2-(3-bromophenyl)sulfanyl-1-thiophen-2-ylethanol
CID 63102586
1-(3-bromophenyl)sulfanyl-3-(4-propan-2-ylphenyl)propan-2-ol
CID 66143354
5-[2-(3-bromophenyl)-3-chloropropyl]-1,3-thiazole
CID 112645361
1-(3-bromophenyl)sulfanyl-3-(2,4,6-trimethylphenyl)propan-2-ol
CID 66159990
1-(3-bromophenyl)sulfanyl-3-(3-chlorophenyl)sulfanylpropan-2-ol
CID 66160238
1-(3-bromophenyl)sulfanyl-3-(5-chloro-2-fluorophenyl)propan-2-ol
CID 103048267
1-(2-bromo-5-fluorophenyl)-3-(3-bromophenyl)sulfanylpropan-2-ol
CID 66161561
1-(3-bromophenyl)sulfanylpent-4-en-2-ol
CID 66159404
1-(3-bromophenyl)sulfanyl-3-(4-chloro-2-fluorophenyl)propan-2-ol
CID 114854776

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)sulfanyl-3-(1,3-thiazol-5-yl)propan-2-ol?
The IUPAC name of 1-(3-bromophenyl)sulfanyl-3-(1,3-thiazol-5-yl)propan-2-ol (CID 112642587) is 1-(3-bromophenyl)sulfanyl-3-(1,3-thiazol-5-yl)propan-2-ol.
What is the SMILES notation for 1-(3-bromophenyl)sulfanyl-3-(1,3-thiazol-5-yl)propan-2-ol?
The canonical SMILES for 1-(3-bromophenyl)sulfanyl-3-(1,3-thiazol-5-yl)propan-2-ol is OC(CSc1cccc(Br)c1)Cc1cncs1.
What is the InChIKey of 1-(3-bromophenyl)sulfanyl-3-(1,3-thiazol-5-yl)propan-2-ol?
The InChIKey is WGLHSDUARNJUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNOS2/c13-9-2-1-3-11(4-9)16-7-10(15)5-12-6-14-8-17-12/h1-4,6,8,10,15H,5,7H2.
What are the key properties of 1-(3-bromophenyl)sulfanyl-3-(1,3-thiazol-5-yl)propan-2-ol?
1-(3-bromophenyl)sulfanyl-3-(1,3-thiazol-5-yl)propan-2-ol has a molecular weight of 330.27 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)sulfanyl-3-(1,3-thiazol-5-yl)propan-2-ol is sourced from PubChem (CID 112642587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).