2-(3-bromophenyl)-4-(methoxymethyl)-1,3-thiazole

C11H10BrNOS — CID 107511692

IUPAC2-(3-bromophenyl)-4-(methoxymethyl)-1,3-thiazole
SMILESCOCc1csc(-c2cccc(Br)c2)n1
InChIInChI=1S/C11H10BrNOS/c1-14-6-10-7-15-11(13-10)8-3-2-4-9(12)5-8/h2-5,7H,6H2,1H3
InChIKeyFKTDRSKFFGLYAK-UHFFFAOYSA-N
MW284.18 g/mol
LogP3.72
Rot. Bonds3

About 2-(3-bromophenyl)-4-(methoxymethyl)-1,3-thiazole

2-(3-bromophenyl)-4-(methoxymethyl)-1,3-thiazole (PubChem CID 107511692) has the molecular formula C11H10BrNOS and a molecular weight of 284.18 g/mol. Its IUPAC name is 2-(3-bromophenyl)-4-(methoxymethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(3-bromophenyl)-4-(methoxymethyl)-1,3-thiazole
PubChem CID107511692
Molecular FormulaC11H10BrNOS
Molecular Weight284.18 g/mol
Exact Mass282.97
IUPAC Name2-(3-bromophenyl)-4-(methoxymethyl)-1,3-thiazole
SMILESCOCc1csc(-c2cccc(Br)c2)n1
InChIInChI=1S/C11H10BrNOS/c1-14-6-10-7-15-11(13-10)8-3-2-4-9(12)5-8/h2-5,7H,6H2,1H3
InChIKeyFKTDRSKFFGLYAK-UHFFFAOYSA-N
XLogP3.72
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.18
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]ethanethiol
CID 116889576
1-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-2-methylpropan-2-amine
CID 116888250
2-(3-bromophenyl)-4-methoxy-1,3-thiazole
CID 116891841
methyl 2-[[2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]acetyl]-(2-methoxy-2-oxoethyl)amino]acetate
CID 56580499
[2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl furan-2-carboxylate
CID 7814672
2-(3-bromophenyl)-4-(piperidin-4-ylmethyl)-1,3-thiazole
CID 116888824
methyl 2-[[2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]acetyl]-propan-2-ylamino]acetate
CID 78885091
2-[4-(methoxymethyl)-1,3-thiazol-2-yl]aniline
CID 107507057
2-(4-bromothiophen-3-yl)-4-(methoxymethyl)-1,3-thiazole
CID 167839205
4-(methoxymethyl)-2-(4-methylsulfanylphenyl)-1,3-thiazole
CID 107511959
2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-[2-(ethylamino)-2-oxoethyl]acetamide
CID 9489302
(2R)-5-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-4-oxo-2-propan-2-ylpentanoic acid
CID 161429755

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-4-(methoxymethyl)-1,3-thiazole?
The IUPAC name of 2-(3-bromophenyl)-4-(methoxymethyl)-1,3-thiazole (CID 107511692) is 2-(3-bromophenyl)-4-(methoxymethyl)-1,3-thiazole.
What is the SMILES notation for 2-(3-bromophenyl)-4-(methoxymethyl)-1,3-thiazole?
The canonical SMILES for 2-(3-bromophenyl)-4-(methoxymethyl)-1,3-thiazole is COCc1csc(-c2cccc(Br)c2)n1.
What is the InChIKey of 2-(3-bromophenyl)-4-(methoxymethyl)-1,3-thiazole?
The InChIKey is FKTDRSKFFGLYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNOS/c1-14-6-10-7-15-11(13-10)8-3-2-4-9(12)5-8/h2-5,7H,6H2,1H3.
What are the key properties of 2-(3-bromophenyl)-4-(methoxymethyl)-1,3-thiazole?
2-(3-bromophenyl)-4-(methoxymethyl)-1,3-thiazole has a molecular weight of 284.18 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-4-(methoxymethyl)-1,3-thiazole is sourced from PubChem (CID 107511692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).