2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethylsulfonylmethyl)-4-(trifluoromethyl)-1,3-thiazole

C11H11F3N4O2S2 — CID 167885966

IUPAC2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethylsulfonylmethyl)-4-(trifluoromethyl)-1,3-thiazole
SMILESO=S(=O)(Cc1nc(C(F)(F)F)cs1)Cc1nnc2n1CCC2
InChIInChI=1S/C11H11F3N4O2S2/c12-11(13,14)7-4-21-10(15-7)6-22(19,20)5-9-17-16-8-2-1-3-18(8)9/h4H,1-3,5-6H2
InChIKeyPGTCZZQYVOXHNK-UHFFFAOYSA-N
MW352.36 g/mol
LogP1.81
Rot. Bonds4

About 2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethylsulfonylmethyl)-4-(trifluoromethyl)-1,3-thiazole

2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethylsulfonylmethyl)-4-(trifluoromethyl)-1,3-thiazole (PubChem CID 167885966) has the molecular formula C11H11F3N4O2S2 and a molecular weight of 352.36 g/mol. Its IUPAC name is 2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethylsulfonylmethyl)-4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethylsulfonylmethyl)-4-(trifluoromethyl)-1,3-thiazole
PubChem CID167885966
Molecular FormulaC11H11F3N4O2S2
Molecular Weight352.36 g/mol
Exact Mass352.03
IUPAC Name2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethylsulfonylmethyl)-4-(trifluoromethyl)-1,3-thiazole
SMILESO=S(=O)(Cc1nc(C(F)(F)F)cs1)Cc1nnc2n1CCC2
InChIInChI=1S/C11H11F3N4O2S2/c12-11(13,14)7-4-21-10(15-7)6-22(19,20)5-9-17-16-8-2-1-3-18(8)9/h4H,1-3,5-6H2
InChIKeyPGTCZZQYVOXHNK-UHFFFAOYSA-N
XLogP1.81
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethylsulfonylmethyl)-4-(trifluoromethyl)-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-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethylsulfonylmethyl)-4-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethylsulfonylmethyl)-4-(trifluoromethyl)-1,3-thiazole (CID 167885966) is 2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethylsulfonylmethyl)-4-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethylsulfonylmethyl)-4-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethylsulfonylmethyl)-4-(trifluoromethyl)-1,3-thiazole is O=S(=O)(Cc1nc(C(F)(F)F)cs1)Cc1nnc2n1CCC2.
What is the InChIKey of 2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethylsulfonylmethyl)-4-(trifluoromethyl)-1,3-thiazole?
The InChIKey is PGTCZZQYVOXHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4O2S2/c12-11(13,14)7-4-21-10(15-7)6-22(19,20)5-9-17-16-8-2-1-3-18(8)9/h4H,1-3,5-6H2.
What are the key properties of 2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethylsulfonylmethyl)-4-(trifluoromethyl)-1,3-thiazole?
2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethylsulfonylmethyl)-4-(trifluoromethyl)-1,3-thiazole has a molecular weight of 352.36 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethylsulfonylmethyl)-4-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 167885966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).