2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methylsulfonylmethyl]-4-(trifluoromethyl)-1,3-thiazole

C14H15F3N4O2S2 — CID 167799393

IUPAC2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methylsulfonylmethyl]-4-(trifluoromethyl)-1,3-thiazole
SMILESO=S(=O)(Cc1nc(C(F)(F)F)cs1)Cc1nnc(C2CC2)n1C1CC1
InChIInChI=1S/C14H15F3N4O2S2/c15-14(16,17)10-5-24-12(18-10)7-25(22,23)6-11-19-20-13(8-1-2-8)21(11)9-3-4-9/h5,8-9H,1-4,6-7H2
InChIKeyIQGOZRPVSCCSGN-UHFFFAOYSA-N
MW392.43 g/mol
LogP3.08
Rot. Bonds6

About 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methylsulfonylmethyl]-4-(trifluoromethyl)-1,3-thiazole

2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methylsulfonylmethyl]-4-(trifluoromethyl)-1,3-thiazole (PubChem CID 167799393) has the molecular formula C14H15F3N4O2S2 and a molecular weight of 392.43 g/mol. Its IUPAC name is 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methylsulfonylmethyl]-4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methylsulfonylmethyl]-4-(trifluoromethyl)-1,3-thiazole
PubChem CID167799393
Molecular FormulaC14H15F3N4O2S2
Molecular Weight392.43 g/mol
Exact Mass392.06
IUPAC Name2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methylsulfonylmethyl]-4-(trifluoromethyl)-1,3-thiazole
SMILESO=S(=O)(Cc1nc(C(F)(F)F)cs1)Cc1nnc(C2CC2)n1C1CC1
InChIInChI=1S/C14H15F3N4O2S2/c15-14(16,17)10-5-24-12(18-10)7-25(22,23)6-11-19-20-13(8-1-2-8)21(11)9-3-4-9/h5,8-9H,1-4,6-7H2
InChIKeyIQGOZRPVSCCSGN-UHFFFAOYSA-N
XLogP3.08
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methylsulfonylmethyl]-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-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methylsulfonylmethyl]-4-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methylsulfonylmethyl]-4-(trifluoromethyl)-1,3-thiazole (CID 167799393) is 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methylsulfonylmethyl]-4-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methylsulfonylmethyl]-4-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methylsulfonylmethyl]-4-(trifluoromethyl)-1,3-thiazole is O=S(=O)(Cc1nc(C(F)(F)F)cs1)Cc1nnc(C2CC2)n1C1CC1.
What is the InChIKey of 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methylsulfonylmethyl]-4-(trifluoromethyl)-1,3-thiazole?
The InChIKey is IQGOZRPVSCCSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4O2S2/c15-14(16,17)10-5-24-12(18-10)7-25(22,23)6-11-19-20-13(8-1-2-8)21(11)9-3-4-9/h5,8-9H,1-4,6-7H2.
What are the key properties of 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methylsulfonylmethyl]-4-(trifluoromethyl)-1,3-thiazole?
2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methylsulfonylmethyl]-4-(trifluoromethyl)-1,3-thiazole has a molecular weight of 392.43 g/mol, XLogP of 3.08, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methylsulfonylmethyl]-4-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 167799393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).