2-[2-(4-bromothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]acetic acid

C10H8BrNO2S2 — CID 64662294

IUPAC2-[2-(4-bromothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]acetic acid
SMILESCc1nc(-c2cc(Br)cs2)sc1CC(=O)O
InChIInChI=1S/C10H8BrNO2S2/c1-5-7(3-9(13)14)16-10(12-5)8-2-6(11)4-15-8/h2,4H,3H2,1H3,(H,13,14)
InChIKeyZXFGVVDANZBMDV-UHFFFAOYSA-N
MW318.22 g/mol
LogP3.57
Rot. Bonds3

About 2-[2-(4-bromothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]acetic acid

2-[2-(4-bromothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]acetic acid (PubChem CID 64662294) has the molecular formula C10H8BrNO2S2 and a molecular weight of 318.22 g/mol. Its IUPAC name is 2-[2-(4-bromothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(4-bromothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]acetic acid
PubChem CID64662294
Molecular FormulaC10H8BrNO2S2
Molecular Weight318.22 g/mol
Exact Mass316.92
IUPAC Name2-[2-(4-bromothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]acetic acid
SMILESCc1nc(-c2cc(Br)cs2)sc1CC(=O)O
InChIInChI=1S/C10H8BrNO2S2/c1-5-7(3-9(13)14)16-10(12-5)8-2-6(11)4-15-8/h2,4H,3H2,1H3,(H,13,14)
InChIKeyZXFGVVDANZBMDV-UHFFFAOYSA-N
XLogP3.57
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.22
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-bromothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[2-(4-bromothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]acetic acid (CID 64662294) is 2-[2-(4-bromothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[2-(4-bromothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[2-(4-bromothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]acetic acid is Cc1nc(-c2cc(Br)cs2)sc1CC(=O)O.
What is the InChIKey of 2-[2-(4-bromothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]acetic acid?
The InChIKey is ZXFGVVDANZBMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNO2S2/c1-5-7(3-9(13)14)16-10(12-5)8-2-6(11)4-15-8/h2,4H,3H2,1H3,(H,13,14).
What are the key properties of 2-[2-(4-bromothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]acetic acid?
2-[2-(4-bromothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]acetic acid has a molecular weight of 318.22 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 64662294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).