2-[4-(4-bromothiophen-2-yl)-1,3-thiazol-2-yl]phenol

C13H8BrNOS2 — CID 136849095

IUPAC2-[4-(4-bromothiophen-2-yl)-1,3-thiazol-2-yl]phenol
SMILESOc1ccccc1-c1nc(-c2cc(Br)cs2)cs1
InChIInChI=1S/C13H8BrNOS2/c14-8-5-12(17-6-8)10-7-18-13(15-10)9-3-1-2-4-11(9)16/h1-7,16H
InChIKeyAWTDXEFQZUNESM-UHFFFAOYSA-N
MW338.25 g/mol
LogP5.01
Rot. Bonds2

About 2-[4-(4-bromothiophen-2-yl)-1,3-thiazol-2-yl]phenol

2-[4-(4-bromothiophen-2-yl)-1,3-thiazol-2-yl]phenol (PubChem CID 136849095) has the molecular formula C13H8BrNOS2 and a molecular weight of 338.25 g/mol. Its IUPAC name is 2-[4-(4-bromothiophen-2-yl)-1,3-thiazol-2-yl]phenol.

Molecular Properties

Compound Name2-[4-(4-bromothiophen-2-yl)-1,3-thiazol-2-yl]phenol
PubChem CID136849095
Molecular FormulaC13H8BrNOS2
Molecular Weight338.25 g/mol
Exact Mass336.92
IUPAC Name2-[4-(4-bromothiophen-2-yl)-1,3-thiazol-2-yl]phenol
SMILESOc1ccccc1-c1nc(-c2cc(Br)cs2)cs1
InChIInChI=1S/C13H8BrNOS2/c14-8-5-12(17-6-8)10-7-18-13(15-10)9-3-1-2-4-11(9)16/h1-7,16H
InChIKeyAWTDXEFQZUNESM-UHFFFAOYSA-N
XLogP5.01
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.25
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-bromophenyl)-2-(4-bromothiophen-2-yl)-1,3-thiazole
CID 79831158
2-[4-(1,3-thiazol-4-yl)-1,3-thiazol-2-yl]phenol
CID 136930256
2-(4-bromothiophen-2-yl)aniline
CID 57177797
4-bromo-2-(2-chlorophenyl)thiophene
CID 175178773
2-[2-(hydroxymethyl)-1,3-thiazol-4-yl]phenol
CID 105460333
2-(2-bromophenyl)-4-(5-chlorothiophen-2-yl)-1,3-thiazole
CID 79832539
2-[4-(4-bromothiophen-2-yl)-1,3-thiazol-2-yl]ethanethiol
CID 116965991
[4-[2-(4-bromothiophen-2-yl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-(2-hydroxyphenyl)methanone
CID 55959989
4-methyl-2-(4-phenyl-1,3-thiazol-2-yl)phenol
CID 142708641
2-[4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]phenol
CID 137000832
5-[2-(2,3-dichlorophenyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid
CID 63549537
2-(4-ethynyl-1,3-thiazol-2-yl)phenol
CID 136801055

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-bromothiophen-2-yl)-1,3-thiazol-2-yl]phenol?
The IUPAC name of 2-[4-(4-bromothiophen-2-yl)-1,3-thiazol-2-yl]phenol (CID 136849095) is 2-[4-(4-bromothiophen-2-yl)-1,3-thiazol-2-yl]phenol.
What is the SMILES notation for 2-[4-(4-bromothiophen-2-yl)-1,3-thiazol-2-yl]phenol?
The canonical SMILES for 2-[4-(4-bromothiophen-2-yl)-1,3-thiazol-2-yl]phenol is Oc1ccccc1-c1nc(-c2cc(Br)cs2)cs1.
What is the InChIKey of 2-[4-(4-bromothiophen-2-yl)-1,3-thiazol-2-yl]phenol?
The InChIKey is AWTDXEFQZUNESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrNOS2/c14-8-5-12(17-6-8)10-7-18-13(15-10)9-3-1-2-4-11(9)16/h1-7,16H.
What are the key properties of 2-[4-(4-bromothiophen-2-yl)-1,3-thiazol-2-yl]phenol?
2-[4-(4-bromothiophen-2-yl)-1,3-thiazol-2-yl]phenol has a molecular weight of 338.25 g/mol, XLogP of 5.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-bromothiophen-2-yl)-1,3-thiazol-2-yl]phenol is sourced from PubChem (CID 136849095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).