2-propan-2-yl-4-[2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]propyl]-1,3-thiazole

C13H15F3N2S2 — CID 170279409

IUPAC2-propan-2-yl-4-[2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]propyl]-1,3-thiazole
SMILESCC(C)c1nc(CC(C)c2csc(C(F)(F)F)n2)cs1
InChIInChI=1S/C13H15F3N2S2/c1-7(2)11-17-9(5-19-11)4-8(3)10-6-20-12(18-10)13(14,15)16/h5-8H,4H2,1-3H3
InChIKeyDQPBHNSFZIZNSL-UHFFFAOYSA-N
MW320.41 g/mol
LogP5.09
Rot. Bonds4

About 2-propan-2-yl-4-[2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]propyl]-1,3-thiazole

2-propan-2-yl-4-[2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]propyl]-1,3-thiazole (PubChem CID 170279409) has the molecular formula C13H15F3N2S2 and a molecular weight of 320.41 g/mol. Its IUPAC name is 2-propan-2-yl-4-[2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]propyl]-1,3-thiazole.

Molecular Properties

Compound Name2-propan-2-yl-4-[2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]propyl]-1,3-thiazole
PubChem CID170279409
Molecular FormulaC13H15F3N2S2
Molecular Weight320.41 g/mol
Exact Mass320.06
IUPAC Name2-propan-2-yl-4-[2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]propyl]-1,3-thiazole
SMILESCC(C)c1nc(CC(C)c2csc(C(F)(F)F)n2)cs1
InChIInChI=1S/C13H15F3N2S2/c1-7(2)11-17-9(5-19-11)4-8(3)10-6-20-12(18-10)13(14,15)16/h5-8H,4H2,1-3H3
InChIKeyDQPBHNSFZIZNSL-UHFFFAOYSA-N
XLogP5.09
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.41
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-propan-2-yl-4-[2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]propyl]-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 2-propan-2-yl-4-[2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]propyl]-1,3-thiazole?
The IUPAC name of 2-propan-2-yl-4-[2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]propyl]-1,3-thiazole (CID 170279409) is 2-propan-2-yl-4-[2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]propyl]-1,3-thiazole.
What is the SMILES notation for 2-propan-2-yl-4-[2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]propyl]-1,3-thiazole?
The canonical SMILES for 2-propan-2-yl-4-[2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]propyl]-1,3-thiazole is CC(C)c1nc(CC(C)c2csc(C(F)(F)F)n2)cs1.
What is the InChIKey of 2-propan-2-yl-4-[2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]propyl]-1,3-thiazole?
The InChIKey is DQPBHNSFZIZNSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2S2/c1-7(2)11-17-9(5-19-11)4-8(3)10-6-20-12(18-10)13(14,15)16/h5-8H,4H2,1-3H3.
What are the key properties of 2-propan-2-yl-4-[2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]propyl]-1,3-thiazole?
2-propan-2-yl-4-[2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]propyl]-1,3-thiazole has a molecular weight of 320.41 g/mol, XLogP of 5.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-4-[2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]propyl]-1,3-thiazole is sourced from PubChem (CID 170279409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).