[4-(3-bromo-4-methoxyphenyl)-2-methoxy-1,3-thiazol-5-yl]methanol

C12H12BrNO3S — CID 131866785

IUPAC[4-(3-bromo-4-methoxyphenyl)-2-methoxy-1,3-thiazol-5-yl]methanol
SMILESCOc1nc(-c2ccc(OC)c(Br)c2)c(CO)s1
InChIInChI=1S/C12H12BrNO3S/c1-16-9-4-3-7(5-8(9)13)11-10(6-15)18-12(14-11)17-2/h3-5,15H,6H2,1-2H3
InChIKeyZRSRBZCLPKTOKR-UHFFFAOYSA-N
MW330.20 g/mol
LogP3.08
Rot. Bonds4

About [4-(3-bromo-4-methoxyphenyl)-2-methoxy-1,3-thiazol-5-yl]methanol

[4-(3-bromo-4-methoxyphenyl)-2-methoxy-1,3-thiazol-5-yl]methanol (PubChem CID 131866785) has the molecular formula C12H12BrNO3S and a molecular weight of 330.20 g/mol. Its IUPAC name is [4-(3-bromo-4-methoxyphenyl)-2-methoxy-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[4-(3-bromo-4-methoxyphenyl)-2-methoxy-1,3-thiazol-5-yl]methanol
PubChem CID131866785
Molecular FormulaC12H12BrNO3S
Molecular Weight330.20 g/mol
Exact Mass328.97
IUPAC Name[4-(3-bromo-4-methoxyphenyl)-2-methoxy-1,3-thiazol-5-yl]methanol
SMILESCOc1nc(-c2ccc(OC)c(Br)c2)c(CO)s1
InChIInChI=1S/C12H12BrNO3S/c1-16-9-4-3-7(5-8(9)13)11-10(6-15)18-12(14-11)17-2/h3-5,15H,6H2,1-2H3
InChIKeyZRSRBZCLPKTOKR-UHFFFAOYSA-N
XLogP3.08
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.20
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-(3-bromo-4-methoxyphenyl)-2-methoxy-1,3-thiazol-5-yl]methanol with MolForge

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Related Compounds

[2-bromo-4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-5-yl]methanol
CID 131867498
[4-(5-bromo-2-methoxyphenyl)-2-methoxy-1,3-thiazol-5-yl]methanol
CID 131866787
[4-(4-tert-butylphenyl)-2-methoxy-1,3-thiazol-5-yl]methanol
CID 131867614
[2-amino-4-(3,4-dimethoxyphenyl)-1,3-thiazol-5-yl]methanol
CID 82133850
[2-bromo-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-5-yl]methanol
CID 131867508
[2-amino-4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-5-yl]methanol
CID 82131960
ethyl 2-amino-4-(3-bromo-4-methoxyphenyl)-1,3-thiazole-5-carboxylate
CID 90477372
4-(3-bromo-4-methoxyphenyl)-2,5-dimethyl-1,3-oxazole
CID 115051830
2-bromo-5-ethyl-4-(3-fluoro-4-methoxyphenyl)-1,3-thiazole
CID 131867399
3-(3-bromo-4-methoxyphenyl)-N,5-dimethyl-1H-pyrazol-4-amine
CID 116826928
[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]methanethiol
CID 116965884
N-[[2-(3-bromo-4-methoxyphenyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 106951183

Frequently Asked Questions

What is the IUPAC name of [4-(3-bromo-4-methoxyphenyl)-2-methoxy-1,3-thiazol-5-yl]methanol?
The IUPAC name of [4-(3-bromo-4-methoxyphenyl)-2-methoxy-1,3-thiazol-5-yl]methanol (CID 131866785) is [4-(3-bromo-4-methoxyphenyl)-2-methoxy-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [4-(3-bromo-4-methoxyphenyl)-2-methoxy-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [4-(3-bromo-4-methoxyphenyl)-2-methoxy-1,3-thiazol-5-yl]methanol is COc1nc(-c2ccc(OC)c(Br)c2)c(CO)s1.
What is the InChIKey of [4-(3-bromo-4-methoxyphenyl)-2-methoxy-1,3-thiazol-5-yl]methanol?
The InChIKey is ZRSRBZCLPKTOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNO3S/c1-16-9-4-3-7(5-8(9)13)11-10(6-15)18-12(14-11)17-2/h3-5,15H,6H2,1-2H3.
What are the key properties of [4-(3-bromo-4-methoxyphenyl)-2-methoxy-1,3-thiazol-5-yl]methanol?
[4-(3-bromo-4-methoxyphenyl)-2-methoxy-1,3-thiazol-5-yl]methanol has a molecular weight of 330.20 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-bromo-4-methoxyphenyl)-2-methoxy-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 131866785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).