5-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole

C17H16F3N3S — CID 141210631

IUPAC5-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
SMILESCc1cc(C)n(Cc2sc(-c3ccc(C(F)(F)F)cc3)nc2C)n1
InChIInChI=1S/C17H16F3N3S/c1-10-8-11(2)23(22-10)9-15-12(3)21-16(24-15)13-4-6-14(7-5-13)17(18,19)20/h4-8H,9H2,1-3H3
InChIKeyDOFQJODYGGETCF-UHFFFAOYSA-N
MW351.40 g/mol
LogP5.00
Rot. Bonds3

About 5-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole

5-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole (PubChem CID 141210631) has the molecular formula C17H16F3N3S and a molecular weight of 351.40 g/mol. Its IUPAC name is 5-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole.

Molecular Properties

Compound Name5-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
PubChem CID141210631
Molecular FormulaC17H16F3N3S
Molecular Weight351.40 g/mol
Exact Mass351.10
IUPAC Name5-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
SMILESCc1cc(C)n(Cc2sc(-c3ccc(C(F)(F)F)cc3)nc2C)n1
InChIInChI=1S/C17H16F3N3S/c1-10-8-11(2)23(22-10)9-15-12(3)21-16(24-15)13-4-6-14(7-5-13)17(18,19)20/h4-8H,9H2,1-3H3
InChIKeyDOFQJODYGGETCF-UHFFFAOYSA-N
XLogP5.00
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]-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 5-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole?
The IUPAC name of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole (CID 141210631) is 5-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole.
What is the SMILES notation for 5-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole?
The canonical SMILES for 5-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole is Cc1cc(C)n(Cc2sc(-c3ccc(C(F)(F)F)cc3)nc2C)n1.
What is the InChIKey of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole?
The InChIKey is DOFQJODYGGETCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3S/c1-10-8-11(2)23(22-10)9-15-12(3)21-16(24-15)13-4-6-14(7-5-13)17(18,19)20/h4-8H,9H2,1-3H3.
What are the key properties of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole?
5-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole has a molecular weight of 351.40 g/mol, XLogP of 5.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole is sourced from PubChem (CID 141210631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).