4-(3-bromophenyl)-2-(methoxymethyl)-5-methyl-1,3-thiazole

C12H12BrNOS — CID 79840119

IUPAC4-(3-bromophenyl)-2-(methoxymethyl)-5-methyl-1,3-thiazole
SMILESCOCc1nc(-c2cccc(Br)c2)c(C)s1
InChIInChI=1S/C12H12BrNOS/c1-8-12(14-11(16-8)7-15-2)9-4-3-5-10(13)6-9/h3-6H,7H2,1-2H3
InChIKeyXFJCMVYTIXWGJF-UHFFFAOYSA-N
MW298.21 g/mol
LogP4.03
Rot. Bonds3

About 4-(3-bromophenyl)-2-(methoxymethyl)-5-methyl-1,3-thiazole

4-(3-bromophenyl)-2-(methoxymethyl)-5-methyl-1,3-thiazole (PubChem CID 79840119) has the molecular formula C12H12BrNOS and a molecular weight of 298.21 g/mol. Its IUPAC name is 4-(3-bromophenyl)-2-(methoxymethyl)-5-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-(3-bromophenyl)-2-(methoxymethyl)-5-methyl-1,3-thiazole
PubChem CID79840119
Molecular FormulaC12H12BrNOS
Molecular Weight298.21 g/mol
Exact Mass296.98
IUPAC Name4-(3-bromophenyl)-2-(methoxymethyl)-5-methyl-1,3-thiazole
SMILESCOCc1nc(-c2cccc(Br)c2)c(C)s1
InChIInChI=1S/C12H12BrNOS/c1-8-12(14-11(16-8)7-15-2)9-4-3-5-10(13)6-9/h3-6H,7H2,1-2H3
InChIKeyXFJCMVYTIXWGJF-UHFFFAOYSA-N
XLogP4.03
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.21
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-2-(methoxymethyl)-5-methyl-1,3-thiazole?
The IUPAC name of 4-(3-bromophenyl)-2-(methoxymethyl)-5-methyl-1,3-thiazole (CID 79840119) is 4-(3-bromophenyl)-2-(methoxymethyl)-5-methyl-1,3-thiazole.
What is the SMILES notation for 4-(3-bromophenyl)-2-(methoxymethyl)-5-methyl-1,3-thiazole?
The canonical SMILES for 4-(3-bromophenyl)-2-(methoxymethyl)-5-methyl-1,3-thiazole is COCc1nc(-c2cccc(Br)c2)c(C)s1.
What is the InChIKey of 4-(3-bromophenyl)-2-(methoxymethyl)-5-methyl-1,3-thiazole?
The InChIKey is XFJCMVYTIXWGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNOS/c1-8-12(14-11(16-8)7-15-2)9-4-3-5-10(13)6-9/h3-6H,7H2,1-2H3.
What are the key properties of 4-(3-bromophenyl)-2-(methoxymethyl)-5-methyl-1,3-thiazole?
4-(3-bromophenyl)-2-(methoxymethyl)-5-methyl-1,3-thiazole has a molecular weight of 298.21 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)-2-(methoxymethyl)-5-methyl-1,3-thiazole is sourced from PubChem (CID 79840119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).