2-(3-bromofuran-2-yl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid

C10H8BrNO4S — CID 106886087

IUPAC2-(3-bromofuran-2-yl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
SMILESCOCc1nc(-c2occc2Br)sc1C(=O)O
InChIInChI=1S/C10H8BrNO4S/c1-15-4-6-8(10(13)14)17-9(12-6)7-5(11)2-3-16-7/h2-3H,4H2,1H3,(H,13,14)
InChIKeyPPEPHZBFAAOMQB-UHFFFAOYSA-N
MW318.15 g/mol
LogP3.01
Rot. Bonds4

About 2-(3-bromofuran-2-yl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid

2-(3-bromofuran-2-yl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 106886087) has the molecular formula C10H8BrNO4S and a molecular weight of 318.15 g/mol. Its IUPAC name is 2-(3-bromofuran-2-yl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(3-bromofuran-2-yl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
PubChem CID106886087
Molecular FormulaC10H8BrNO4S
Molecular Weight318.15 g/mol
Exact Mass316.94
IUPAC Name2-(3-bromofuran-2-yl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
SMILESCOCc1nc(-c2occc2Br)sc1C(=O)O
InChIInChI=1S/C10H8BrNO4S/c1-15-4-6-8(10(13)14)17-9(12-6)7-5(11)2-3-16-7/h2-3H,4H2,1H3,(H,13,14)
InChIKeyPPEPHZBFAAOMQB-UHFFFAOYSA-N
XLogP3.01
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.15
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromofuran-2-yl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(3-bromofuran-2-yl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid (CID 106886087) is 2-(3-bromofuran-2-yl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(3-bromofuran-2-yl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(3-bromofuran-2-yl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid is COCc1nc(-c2occc2Br)sc1C(=O)O.
What is the InChIKey of 2-(3-bromofuran-2-yl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is PPEPHZBFAAOMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNO4S/c1-15-4-6-8(10(13)14)17-9(12-6)7-5(11)2-3-16-7/h2-3H,4H2,1H3,(H,13,14).
What are the key properties of 2-(3-bromofuran-2-yl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid?
2-(3-bromofuran-2-yl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 318.15 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromofuran-2-yl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 106886087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).