4-[[5-(difluoromethyl)-1-methyltriazol-4-yl]methylsulfonylmethyl]-2-(methoxymethyl)-1,3-thiazole

C11H14F2N4O3S2 — CID 166373194

IUPAC4-[[5-(difluoromethyl)-1-methyltriazol-4-yl]methylsulfonylmethyl]-2-(methoxymethyl)-1,3-thiazole
SMILESCOCc1nc(CS(=O)(=O)Cc2nnn(C)c2C(F)F)cs1
InChIInChI=1S/C11H14F2N4O3S2/c1-17-10(11(12)13)8(15-16-17)6-22(18,19)5-7-4-21-9(14-7)3-20-2/h4,11H,3,5-6H2,1-2H3
InChIKeyDIUIEIGJVJVHIO-UHFFFAOYSA-N
MW352.39 g/mol
LogP1.47
Rot. Bonds7

About 4-[[5-(difluoromethyl)-1-methyltriazol-4-yl]methylsulfonylmethyl]-2-(methoxymethyl)-1,3-thiazole

4-[[5-(difluoromethyl)-1-methyltriazol-4-yl]methylsulfonylmethyl]-2-(methoxymethyl)-1,3-thiazole (PubChem CID 166373194) has the molecular formula C11H14F2N4O3S2 and a molecular weight of 352.39 g/mol. Its IUPAC name is 4-[[5-(difluoromethyl)-1-methyltriazol-4-yl]methylsulfonylmethyl]-2-(methoxymethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-[[5-(difluoromethyl)-1-methyltriazol-4-yl]methylsulfonylmethyl]-2-(methoxymethyl)-1,3-thiazole
PubChem CID166373194
Molecular FormulaC11H14F2N4O3S2
Molecular Weight352.39 g/mol
Exact Mass352.05
IUPAC Name4-[[5-(difluoromethyl)-1-methyltriazol-4-yl]methylsulfonylmethyl]-2-(methoxymethyl)-1,3-thiazole
SMILESCOCc1nc(CS(=O)(=O)Cc2nnn(C)c2C(F)F)cs1
InChIInChI=1S/C11H14F2N4O3S2/c1-17-10(11(12)13)8(15-16-17)6-22(18,19)5-7-4-21-9(14-7)3-20-2/h4,11H,3,5-6H2,1-2H3
InChIKeyDIUIEIGJVJVHIO-UHFFFAOYSA-N
XLogP1.47
TPSA86.97 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[[5-(difluoromethyl)-1-methyltriazol-4-yl]methylsulfonylmethyl]-2-(methoxymethyl)-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-[[5-(difluoromethyl)-1-methyltriazol-4-yl]methylsulfonylmethyl]-2-(methoxymethyl)-1,3-thiazole?
The IUPAC name of 4-[[5-(difluoromethyl)-1-methyltriazol-4-yl]methylsulfonylmethyl]-2-(methoxymethyl)-1,3-thiazole (CID 166373194) is 4-[[5-(difluoromethyl)-1-methyltriazol-4-yl]methylsulfonylmethyl]-2-(methoxymethyl)-1,3-thiazole.
What is the SMILES notation for 4-[[5-(difluoromethyl)-1-methyltriazol-4-yl]methylsulfonylmethyl]-2-(methoxymethyl)-1,3-thiazole?
The canonical SMILES for 4-[[5-(difluoromethyl)-1-methyltriazol-4-yl]methylsulfonylmethyl]-2-(methoxymethyl)-1,3-thiazole is COCc1nc(CS(=O)(=O)Cc2nnn(C)c2C(F)F)cs1.
What is the InChIKey of 4-[[5-(difluoromethyl)-1-methyltriazol-4-yl]methylsulfonylmethyl]-2-(methoxymethyl)-1,3-thiazole?
The InChIKey is DIUIEIGJVJVHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N4O3S2/c1-17-10(11(12)13)8(15-16-17)6-22(18,19)5-7-4-21-9(14-7)3-20-2/h4,11H,3,5-6H2,1-2H3.
What are the key properties of 4-[[5-(difluoromethyl)-1-methyltriazol-4-yl]methylsulfonylmethyl]-2-(methoxymethyl)-1,3-thiazole?
4-[[5-(difluoromethyl)-1-methyltriazol-4-yl]methylsulfonylmethyl]-2-(methoxymethyl)-1,3-thiazole has a molecular weight of 352.39 g/mol, XLogP of 1.47, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(difluoromethyl)-1-methyltriazol-4-yl]methylsulfonylmethyl]-2-(methoxymethyl)-1,3-thiazole is sourced from PubChem (CID 166373194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).