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

C11H8BrNO3S — CID 106886088

IUPAC2-(3-bromofuran-2-yl)-4-cyclopropyl-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1sc(-c2occc2Br)nc1C1CC1
InChIInChI=1S/C11H8BrNO3S/c12-6-3-4-16-8(6)10-13-7(5-1-2-5)9(17-10)11(14)15/h3-5H,1-2H2,(H,14,15)
InChIKeyCSAWPOTYSBINNS-UHFFFAOYSA-N
MW314.16 g/mol
LogP3.74
Rot. Bonds3

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

2-(3-bromofuran-2-yl)-4-cyclopropyl-1,3-thiazole-5-carboxylic acid (PubChem CID 106886088) has the molecular formula C11H8BrNO3S and a molecular weight of 314.16 g/mol. Its IUPAC name is 2-(3-bromofuran-2-yl)-4-cyclopropyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(3-bromofuran-2-yl)-4-cyclopropyl-1,3-thiazole-5-carboxylic acid
PubChem CID106886088
Molecular FormulaC11H8BrNO3S
Molecular Weight314.16 g/mol
Exact Mass312.94
IUPAC Name2-(3-bromofuran-2-yl)-4-cyclopropyl-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1sc(-c2occc2Br)nc1C1CC1
InChIInChI=1S/C11H8BrNO3S/c12-6-3-4-16-8(6)10-13-7(5-1-2-5)9(17-10)11(14)15/h3-5H,1-2H2,(H,14,15)
InChIKeyCSAWPOTYSBINNS-UHFFFAOYSA-N
XLogP3.74
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.16
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-bromofuran-2-yl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 106886087
4-cyclopropyl-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 98019165
2-[(2-bromophenyl)methyl]-4-cyclopropyl-1,3-thiazole-5-carboxylic acid
CID 114360188
4-cyclopropyl-2-(5-ethylfuran-2-yl)-1,3-thiazole-5-carboxylic acid
CID 114360827
4-cyclopropyl-2-(3,5-difluorophenyl)-1,3-thiazole-5-carboxylic acid
CID 114360248
4-cyclopropyl-2-(1-methylpyrazol-3-yl)-1,3-thiazole-5-carboxylic acid
CID 114360155
4-cyclopropyl-2-(3,4-dimethylphenyl)-1,3-thiazole-5-carboxylic acid
CID 82488839
4-cyclopropyl-2-(1,3-thiazol-5-yl)-1,3-thiazole-5-carboxylic acid
CID 114360208
4-cyclopropyl-2-(2,4,6-trifluorophenyl)-1,3-thiazole-5-carboxylic acid
CID 107920329
4-cyclopropyl-2-(2,5-dichlorophenyl)-1,3-thiazole-5-carboxylic acid
CID 114076223
2-(3-chlorophenyl)-4-cyclopropyl-1,3-thiazole-5-carboxylic acid
CID 98022837
ethyl 2-(3-bromofuran-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxylate
CID 106886066

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromofuran-2-yl)-4-cyclopropyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(3-bromofuran-2-yl)-4-cyclopropyl-1,3-thiazole-5-carboxylic acid (CID 106886088) is 2-(3-bromofuran-2-yl)-4-cyclopropyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(3-bromofuran-2-yl)-4-cyclopropyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(3-bromofuran-2-yl)-4-cyclopropyl-1,3-thiazole-5-carboxylic acid is O=C(O)c1sc(-c2occc2Br)nc1C1CC1.
What is the InChIKey of 2-(3-bromofuran-2-yl)-4-cyclopropyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is CSAWPOTYSBINNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrNO3S/c12-6-3-4-16-8(6)10-13-7(5-1-2-5)9(17-10)11(14)15/h3-5H,1-2H2,(H,14,15).
What are the key properties of 2-(3-bromofuran-2-yl)-4-cyclopropyl-1,3-thiazole-5-carboxylic acid?
2-(3-bromofuran-2-yl)-4-cyclopropyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 314.16 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromofuran-2-yl)-4-cyclopropyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 106886088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).