2-(4-bromo-5-methylthiophen-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid

C10H5BrF3NO2S2 — CID 102842190

IUPAC2-(4-bromo-5-methylthiophen-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
SMILESCc1sc(-c2nc(C(F)(F)F)c(C(=O)O)s2)cc1Br
InChIInChI=1S/C10H5BrF3NO2S2/c1-3-4(11)2-5(18-3)8-15-7(10(12,13)14)6(19-8)9(16)17/h2H,1H3,(H,16,17)
InChIKeySDTMFGVCQKMBGI-UHFFFAOYSA-N
MW372.19 g/mol
LogP4.66
Rot. Bonds2

About 2-(4-bromo-5-methylthiophen-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid

2-(4-bromo-5-methylthiophen-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 102842190) has the molecular formula C10H5BrF3NO2S2 and a molecular weight of 372.19 g/mol. Its IUPAC name is 2-(4-bromo-5-methylthiophen-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(4-bromo-5-methylthiophen-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
PubChem CID102842190
Molecular FormulaC10H5BrF3NO2S2
Molecular Weight372.19 g/mol
Exact Mass370.89
IUPAC Name2-(4-bromo-5-methylthiophen-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
SMILESCc1sc(-c2nc(C(F)(F)F)c(C(=O)O)s2)cc1Br
InChIInChI=1S/C10H5BrF3NO2S2/c1-3-4(11)2-5(18-3)8-15-7(10(12,13)14)6(19-8)9(16)17/h2H,1H3,(H,16,17)
InChIKeySDTMFGVCQKMBGI-UHFFFAOYSA-N
XLogP4.66
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.19
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-5-methylthiophen-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(4-bromo-5-methylthiophen-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid (CID 102842190) is 2-(4-bromo-5-methylthiophen-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(4-bromo-5-methylthiophen-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(4-bromo-5-methylthiophen-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid is Cc1sc(-c2nc(C(F)(F)F)c(C(=O)O)s2)cc1Br.
What is the InChIKey of 2-(4-bromo-5-methylthiophen-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is SDTMFGVCQKMBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrF3NO2S2/c1-3-4(11)2-5(18-3)8-15-7(10(12,13)14)6(19-8)9(16)17/h2H,1H3,(H,16,17).
What are the key properties of 2-(4-bromo-5-methylthiophen-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid?
2-(4-bromo-5-methylthiophen-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 372.19 g/mol, XLogP of 4.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-5-methylthiophen-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 102842190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).