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

C11H14F2N4O2S2 — CID 166263697

IUPAC4-[[5-(difluoromethyl)-1-methyltriazol-4-yl]methylsulfonylmethyl]-2-ethyl-1,3-thiazole
SMILESCCc1nc(CS(=O)(=O)Cc2nnn(C)c2C(F)F)cs1
InChIInChI=1S/C11H14F2N4O2S2/c1-3-9-14-7(4-20-9)5-21(18,19)6-8-10(11(12)13)17(2)16-15-8/h4,11H,3,5-6H2,1-2H3
InChIKeyLSHUQCQJIRFJEY-UHFFFAOYSA-N
MW336.39 g/mol
LogP1.89
Rot. Bonds6

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

4-[[5-(difluoromethyl)-1-methyltriazol-4-yl]methylsulfonylmethyl]-2-ethyl-1,3-thiazole (PubChem CID 166263697) has the molecular formula C11H14F2N4O2S2 and a molecular weight of 336.39 g/mol. Its IUPAC name is 4-[[5-(difluoromethyl)-1-methyltriazol-4-yl]methylsulfonylmethyl]-2-ethyl-1,3-thiazole.

Molecular Properties

Compound Name4-[[5-(difluoromethyl)-1-methyltriazol-4-yl]methylsulfonylmethyl]-2-ethyl-1,3-thiazole
PubChem CID166263697
Molecular FormulaC11H14F2N4O2S2
Molecular Weight336.39 g/mol
Exact Mass336.05
IUPAC Name4-[[5-(difluoromethyl)-1-methyltriazol-4-yl]methylsulfonylmethyl]-2-ethyl-1,3-thiazole
SMILESCCc1nc(CS(=O)(=O)Cc2nnn(C)c2C(F)F)cs1
InChIInChI=1S/C11H14F2N4O2S2/c1-3-9-14-7(4-20-9)5-21(18,19)6-8-10(11(12)13)17(2)16-15-8/h4,11H,3,5-6H2,1-2H3
InChIKeyLSHUQCQJIRFJEY-UHFFFAOYSA-N
XLogP1.89
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

CID 146144204
CID 146144204
CID 166188697
CID 166188697
CID 166263698
CID 166263698
CID 166263703
CID 166263703
CID 166264491
CID 166264491
CID 166303461
CID 166303461
CID 166314623
CID 166314623
CID 166373194
CID 166373194
CID 166373206
CID 166373206
CID 167773441
CID 167773441
CID 167848124
CID 167848124
CID 167910171
CID 167910171

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(difluoromethyl)-1-methyltriazol-4-yl]methylsulfonylmethyl]-2-ethyl-1,3-thiazole?
The IUPAC name of 4-[[5-(difluoromethyl)-1-methyltriazol-4-yl]methylsulfonylmethyl]-2-ethyl-1,3-thiazole (CID 166263697) is 4-[[5-(difluoromethyl)-1-methyltriazol-4-yl]methylsulfonylmethyl]-2-ethyl-1,3-thiazole.
What is the SMILES notation for 4-[[5-(difluoromethyl)-1-methyltriazol-4-yl]methylsulfonylmethyl]-2-ethyl-1,3-thiazole?
The canonical SMILES for 4-[[5-(difluoromethyl)-1-methyltriazol-4-yl]methylsulfonylmethyl]-2-ethyl-1,3-thiazole is CCc1nc(CS(=O)(=O)Cc2nnn(C)c2C(F)F)cs1.
What is the InChIKey of 4-[[5-(difluoromethyl)-1-methyltriazol-4-yl]methylsulfonylmethyl]-2-ethyl-1,3-thiazole?
The InChIKey is LSHUQCQJIRFJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N4O2S2/c1-3-9-14-7(4-20-9)5-21(18,19)6-8-10(11(12)13)17(2)16-15-8/h4,11H,3,5-6H2,1-2H3.
What are the key properties of 4-[[5-(difluoromethyl)-1-methyltriazol-4-yl]methylsulfonylmethyl]-2-ethyl-1,3-thiazole?
4-[[5-(difluoromethyl)-1-methyltriazol-4-yl]methylsulfonylmethyl]-2-ethyl-1,3-thiazole has a molecular weight of 336.39 g/mol, XLogP of 1.89, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(difluoromethyl)-1-methyltriazol-4-yl]methylsulfonylmethyl]-2-ethyl-1,3-thiazole is sourced from PubChem (CID 166263697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).