4-[4-(5-bromofuran-2-yl)-1,3-thiazol-2-yl]phenol

C13H8BrNO2S — CID 136907983

IUPAC4-[4-(5-bromofuran-2-yl)-1,3-thiazol-2-yl]phenol
SMILESOc1ccc(-c2nc(-c3ccc(Br)o3)cs2)cc1
InChIInChI=1S/C13H8BrNO2S/c14-12-6-5-11(17-12)10-7-18-13(15-10)8-1-3-9(16)4-2-8/h1-7,16H
InChIKeyDJMCIADSQZVEKS-UHFFFAOYSA-N
MW322.18 g/mol
LogP4.54
Rot. Bonds2

About 4-[4-(5-bromofuran-2-yl)-1,3-thiazol-2-yl]phenol

4-[4-(5-bromofuran-2-yl)-1,3-thiazol-2-yl]phenol (PubChem CID 136907983) has the molecular formula C13H8BrNO2S and a molecular weight of 322.18 g/mol. Its IUPAC name is 4-[4-(5-bromofuran-2-yl)-1,3-thiazol-2-yl]phenol.

Molecular Properties

Compound Name4-[4-(5-bromofuran-2-yl)-1,3-thiazol-2-yl]phenol
PubChem CID136907983
Molecular FormulaC13H8BrNO2S
Molecular Weight322.18 g/mol
Exact Mass320.95
IUPAC Name4-[4-(5-bromofuran-2-yl)-1,3-thiazol-2-yl]phenol
SMILESOc1ccc(-c2nc(-c3ccc(Br)o3)cs2)cc1
InChIInChI=1S/C13H8BrNO2S/c14-12-6-5-11(17-12)10-7-18-13(15-10)8-1-3-9(16)4-2-8/h1-7,16H
InChIKeyDJMCIADSQZVEKS-UHFFFAOYSA-N
XLogP4.54
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.18
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-bromofuran-2-yl)-2-(4-bromophenyl)-1,3-thiazole
CID 113437726
4-[4-(5-bromofuran-2-yl)-1,3-thiazol-2-yl]benzoic acid
CID 104653593
4-(5-bromofuran-2-yl)-2-(2-bromophenyl)-1,3-thiazole
CID 104654186
4-[4-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]phenol
CID 136969519
4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]phenol
CID 1473815
4-[4-(2-bromo-4-fluorophenyl)-1,3-thiazol-2-yl]phenol
CID 136794251
4-[2-(furan-2-yl)-1,3-thiazol-4-yl]phenol
CID 83794182
3-[2-(4-bromophenyl)-1,3-thiazol-4-yl]-7-hydroxychromen-2-one
CID 6076733
[4-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]phenyl] acetate
CID 137047911
4-[4-(aminomethyl)-1,3-thiazol-2-yl]phenol
CID 135741995
2-(5-bromofuran-2-yl)-1,3-thiazole-4-carbaldehyde
CID 60998358
5-[2-(4-bromophenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid
CID 63355591

Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-bromofuran-2-yl)-1,3-thiazol-2-yl]phenol?
The IUPAC name of 4-[4-(5-bromofuran-2-yl)-1,3-thiazol-2-yl]phenol (CID 136907983) is 4-[4-(5-bromofuran-2-yl)-1,3-thiazol-2-yl]phenol.
What is the SMILES notation for 4-[4-(5-bromofuran-2-yl)-1,3-thiazol-2-yl]phenol?
The canonical SMILES for 4-[4-(5-bromofuran-2-yl)-1,3-thiazol-2-yl]phenol is Oc1ccc(-c2nc(-c3ccc(Br)o3)cs2)cc1.
What is the InChIKey of 4-[4-(5-bromofuran-2-yl)-1,3-thiazol-2-yl]phenol?
The InChIKey is DJMCIADSQZVEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrNO2S/c14-12-6-5-11(17-12)10-7-18-13(15-10)8-1-3-9(16)4-2-8/h1-7,16H.
What are the key properties of 4-[4-(5-bromofuran-2-yl)-1,3-thiazol-2-yl]phenol?
4-[4-(5-bromofuran-2-yl)-1,3-thiazol-2-yl]phenol has a molecular weight of 322.18 g/mol, XLogP of 4.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-bromofuran-2-yl)-1,3-thiazol-2-yl]phenol is sourced from PubChem (CID 136907983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).