[2-(3-bromophenoxy)-4-chloro-1,3-thiazol-5-yl]methanol

C10H7BrClNO2S — CID 80692615

IUPAC[2-(3-bromophenoxy)-4-chloro-1,3-thiazol-5-yl]methanol
SMILESOCc1sc(Oc2cccc(Br)c2)nc1Cl
InChIInChI=1S/C10H7BrClNO2S/c11-6-2-1-3-7(4-6)15-10-13-9(12)8(5-14)16-10/h1-4,14H,5H2
InChIKeyHIDUUWDDCWEJGE-UHFFFAOYSA-N
MW320.60 g/mol
LogP3.84
Rot. Bonds3

About [2-(3-bromophenoxy)-4-chloro-1,3-thiazol-5-yl]methanol

[2-(3-bromophenoxy)-4-chloro-1,3-thiazol-5-yl]methanol (PubChem CID 80692615) has the molecular formula C10H7BrClNO2S and a molecular weight of 320.60 g/mol. Its IUPAC name is [2-(3-bromophenoxy)-4-chloro-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-(3-bromophenoxy)-4-chloro-1,3-thiazol-5-yl]methanol
PubChem CID80692615
Molecular FormulaC10H7BrClNO2S
Molecular Weight320.60 g/mol
Exact Mass318.91
IUPAC Name[2-(3-bromophenoxy)-4-chloro-1,3-thiazol-5-yl]methanol
SMILESOCc1sc(Oc2cccc(Br)c2)nc1Cl
InChIInChI=1S/C10H7BrClNO2S/c11-6-2-1-3-7(4-6)15-10-13-9(12)8(5-14)16-10/h1-4,14H,5H2
InChIKeyHIDUUWDDCWEJGE-UHFFFAOYSA-N
XLogP3.84
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.60
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-bromophenoxy)-4-chloro-1,3-thiazol-5-yl]methanol
CID 80693125
4-[[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]oxy]-2-fluorobenzonitrile
CID 80692327
[2-[[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]oxy]phenyl]methanol
CID 80692718
[2-(3-bromophenyl)sulfanyl-4-chloro-1,3-thiazol-5-yl]methanol
CID 80692045
[4-chloro-2-(2,4-dimethylphenoxy)-1,3-thiazol-5-yl]methanol
CID 80692917
[6-(3-bromophenoxy)pyrazin-2-yl]methanol
CID 66466850
[5-bromo-2-(3-bromophenoxy)phenyl]methanol
CID 114061472
2-(3-bromophenoxy)-1,3-thiazole-4-carboxylic acid
CID 117189235
[6-(3-bromophenoxy)-3-pyridinyl]methanol
CID 61255243
[2-(3-bromophenoxy)-3-pyridinyl]methanol
CID 61258163
[5-(3-chlorophenoxy)-1,3,4-thiadiazol-2-yl]methanol
CID 80619716
[2-(2-bromophenoxy)-4-chloro-1,3-thiazol-5-yl]methanamine
CID 117258711

Frequently Asked Questions

What is the IUPAC name of [2-(3-bromophenoxy)-4-chloro-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-(3-bromophenoxy)-4-chloro-1,3-thiazol-5-yl]methanol (CID 80692615) is [2-(3-bromophenoxy)-4-chloro-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-(3-bromophenoxy)-4-chloro-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-(3-bromophenoxy)-4-chloro-1,3-thiazol-5-yl]methanol is OCc1sc(Oc2cccc(Br)c2)nc1Cl.
What is the InChIKey of [2-(3-bromophenoxy)-4-chloro-1,3-thiazol-5-yl]methanol?
The InChIKey is HIDUUWDDCWEJGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrClNO2S/c11-6-2-1-3-7(4-6)15-10-13-9(12)8(5-14)16-10/h1-4,14H,5H2.
What are the key properties of [2-(3-bromophenoxy)-4-chloro-1,3-thiazol-5-yl]methanol?
[2-(3-bromophenoxy)-4-chloro-1,3-thiazol-5-yl]methanol has a molecular weight of 320.60 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-bromophenoxy)-4-chloro-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 80692615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).