4-(4-bromophenyl)-2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole

C13H7BrF3N3S — CID 2525061

IUPAC4-(4-bromophenyl)-2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole
SMILESFC(F)(F)c1ccnn1-c1nc(-c2ccc(Br)cc2)cs1
InChIInChI=1S/C13H7BrF3N3S/c14-9-3-1-8(2-4-9)10-7-21-12(19-10)20-11(5-6-18-20)13(15,16)17/h1-7H
InChIKeyIEMFQDHPJYQXNY-UHFFFAOYSA-N
MW374.19 g/mol
LogP4.78
Rot. Bonds2

About 4-(4-bromophenyl)-2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole

4-(4-bromophenyl)-2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole (PubChem CID 2525061) has the molecular formula C13H7BrF3N3S and a molecular weight of 374.19 g/mol. Its IUPAC name is 4-(4-bromophenyl)-2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-(4-bromophenyl)-2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole
PubChem CID2525061
Molecular FormulaC13H7BrF3N3S
Molecular Weight374.19 g/mol
Exact Mass372.95
IUPAC Name4-(4-bromophenyl)-2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole
SMILESFC(F)(F)c1ccnn1-c1nc(-c2ccc(Br)cc2)cs1
InChIInChI=1S/C13H7BrF3N3S/c14-9-3-1-8(2-4-9)10-7-21-12(19-10)20-11(5-6-18-20)13(15,16)17/h1-7H
InChIKeyIEMFQDHPJYQXNY-UHFFFAOYSA-N
XLogP4.78
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.19
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(4-bromophenyl)-2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole?
The IUPAC name of 4-(4-bromophenyl)-2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole (CID 2525061) is 4-(4-bromophenyl)-2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole.
What is the SMILES notation for 4-(4-bromophenyl)-2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole?
The canonical SMILES for 4-(4-bromophenyl)-2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole is FC(F)(F)c1ccnn1-c1nc(-c2ccc(Br)cc2)cs1.
What is the InChIKey of 4-(4-bromophenyl)-2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole?
The InChIKey is IEMFQDHPJYQXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrF3N3S/c14-9-3-1-8(2-4-9)10-7-21-12(19-10)20-11(5-6-18-20)13(15,16)17/h1-7H.
What are the key properties of 4-(4-bromophenyl)-2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole?
4-(4-bromophenyl)-2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole has a molecular weight of 374.19 g/mol, XLogP of 4.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole is sourced from PubChem (CID 2525061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).