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

C11H10BrNO2S — CID 82124686

IUPAC[4-(5-bromo-2-methoxyphenyl)-1,3-thiazol-2-yl]methanol
SMILESCOc1ccc(Br)cc1-c1csc(CO)n1
InChIInChI=1S/C11H10BrNO2S/c1-15-10-3-2-7(12)4-8(10)9-6-16-11(5-14)13-9/h2-4,6,14H,5H2,1H3
InChIKeyZYXAIBCMWHGMIT-UHFFFAOYSA-N
MW300.18 g/mol
LogP3.07
Rot. Bonds3

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

[4-(5-bromo-2-methoxyphenyl)-1,3-thiazol-2-yl]methanol (PubChem CID 82124686) has the molecular formula C11H10BrNO2S and a molecular weight of 300.18 g/mol. Its IUPAC name is [4-(5-bromo-2-methoxyphenyl)-1,3-thiazol-2-yl]methanol.

Molecular Properties

Compound Name[4-(5-bromo-2-methoxyphenyl)-1,3-thiazol-2-yl]methanol
PubChem CID82124686
Molecular FormulaC11H10BrNO2S
Molecular Weight300.18 g/mol
Exact Mass298.96
IUPAC Name[4-(5-bromo-2-methoxyphenyl)-1,3-thiazol-2-yl]methanol
SMILESCOc1ccc(Br)cc1-c1csc(CO)n1
InChIInChI=1S/C11H10BrNO2S/c1-15-10-3-2-7(12)4-8(10)9-6-16-11(5-14)13-9/h2-4,6,14H,5H2,1H3
InChIKeyZYXAIBCMWHGMIT-UHFFFAOYSA-N
XLogP3.07
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.18
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(5-bromo-2-methoxyphenyl)-1,3-thiazol-2-yl]propanenitrile
CID 116866801
1-[4-(5-bromo-2-methoxyphenyl)-1,3-thiazol-2-yl]ethanone
CID 82308937
4-(5-bromo-2-methoxyphenyl)-2-(trifluoromethyl)-1,3-thiazole
CID 116967679
1-[4-(5-bromo-2-methoxyphenyl)-1,3-thiazol-2-yl]cyclopropan-1-amine
CID 116967629
2-(bromomethyl)-4-(5-ethyl-2-methoxyphenyl)-1,3-thiazole
CID 116970303
2-(chloromethyl)-4-(2,5-dimethoxyphenyl)-1,3-thiazole
CID 62922717
4-(5-chloro-2-methoxyphenyl)-2-(methoxymethyl)-1,3-thiazole
CID 116969940
[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]methanethiol
CID 116965875
2-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]acetic acid
CID 28942199
[4-(5-bromo-2-methoxyphenyl)-2-methoxy-1,3-thiazol-5-yl]methanol
CID 131866787
2-(bromomethyl)-4-(2-methoxy-4,5-dimethylphenyl)-1,3-thiazole
CID 116970291
ethyl 2-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]acetate
CID 28942120

Frequently Asked Questions

What is the IUPAC name of [4-(5-bromo-2-methoxyphenyl)-1,3-thiazol-2-yl]methanol?
The IUPAC name of [4-(5-bromo-2-methoxyphenyl)-1,3-thiazol-2-yl]methanol (CID 82124686) is [4-(5-bromo-2-methoxyphenyl)-1,3-thiazol-2-yl]methanol.
What is the SMILES notation for [4-(5-bromo-2-methoxyphenyl)-1,3-thiazol-2-yl]methanol?
The canonical SMILES for [4-(5-bromo-2-methoxyphenyl)-1,3-thiazol-2-yl]methanol is COc1ccc(Br)cc1-c1csc(CO)n1.
What is the InChIKey of [4-(5-bromo-2-methoxyphenyl)-1,3-thiazol-2-yl]methanol?
The InChIKey is ZYXAIBCMWHGMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO2S/c1-15-10-3-2-7(12)4-8(10)9-6-16-11(5-14)13-9/h2-4,6,14H,5H2,1H3.
What are the key properties of [4-(5-bromo-2-methoxyphenyl)-1,3-thiazol-2-yl]methanol?
[4-(5-bromo-2-methoxyphenyl)-1,3-thiazol-2-yl]methanol has a molecular weight of 300.18 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-bromo-2-methoxyphenyl)-1,3-thiazol-2-yl]methanol is sourced from PubChem (CID 82124686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).