4-[[4-(difluoromethyl)-5-methylsulfonyltriazol-2-yl]methyl]-1,3-thiazole

C8H8F2N4O2S2 — CID 146144204

IUPAC4-[[4-(difluoromethyl)-5-methylsulfonyltriazol-2-yl]methyl]-1,3-thiazole
SMILESCS(=O)(=O)c1nn(Cc2cscn2)nc1C(F)F
InChIInChI=1S/C8H8F2N4O2S2/c1-18(15,16)8-6(7(9)10)12-14(13-8)2-5-3-17-4-11-5/h3-4,7H,2H2,1H3
InChIKeyBOIVNJBNFOVEBE-UHFFFAOYSA-N
MW294.31 g/mol
LogP1.12
Rot. Bonds4

About 4-[[4-(difluoromethyl)-5-methylsulfonyltriazol-2-yl]methyl]-1,3-thiazole

4-[[4-(difluoromethyl)-5-methylsulfonyltriazol-2-yl]methyl]-1,3-thiazole (PubChem CID 146144204) has the molecular formula C8H8F2N4O2S2 and a molecular weight of 294.31 g/mol. Its IUPAC name is 4-[[4-(difluoromethyl)-5-methylsulfonyltriazol-2-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[[4-(difluoromethyl)-5-methylsulfonyltriazol-2-yl]methyl]-1,3-thiazole
PubChem CID146144204
Molecular FormulaC8H8F2N4O2S2
Molecular Weight294.31 g/mol
Exact Mass294.01
IUPAC Name4-[[4-(difluoromethyl)-5-methylsulfonyltriazol-2-yl]methyl]-1,3-thiazole
SMILESCS(=O)(=O)c1nn(Cc2cscn2)nc1C(F)F
InChIInChI=1S/C8H8F2N4O2S2/c1-18(15,16)8-6(7(9)10)12-14(13-8)2-5-3-17-4-11-5/h3-4,7H,2H2,1H3
InChIKeyBOIVNJBNFOVEBE-UHFFFAOYSA-N
XLogP1.12
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(difluoromethyl)-5-methylsulfonyltriazol-2-yl]methyl]-1,3-thiazole?
The IUPAC name of 4-[[4-(difluoromethyl)-5-methylsulfonyltriazol-2-yl]methyl]-1,3-thiazole (CID 146144204) is 4-[[4-(difluoromethyl)-5-methylsulfonyltriazol-2-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 4-[[4-(difluoromethyl)-5-methylsulfonyltriazol-2-yl]methyl]-1,3-thiazole?
The canonical SMILES for 4-[[4-(difluoromethyl)-5-methylsulfonyltriazol-2-yl]methyl]-1,3-thiazole is CS(=O)(=O)c1nn(Cc2cscn2)nc1C(F)F.
What is the InChIKey of 4-[[4-(difluoromethyl)-5-methylsulfonyltriazol-2-yl]methyl]-1,3-thiazole?
The InChIKey is BOIVNJBNFOVEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N4O2S2/c1-18(15,16)8-6(7(9)10)12-14(13-8)2-5-3-17-4-11-5/h3-4,7H,2H2,1H3.
What are the key properties of 4-[[4-(difluoromethyl)-5-methylsulfonyltriazol-2-yl]methyl]-1,3-thiazole?
4-[[4-(difluoromethyl)-5-methylsulfonyltriazol-2-yl]methyl]-1,3-thiazole has a molecular weight of 294.31 g/mol, XLogP of 1.12, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(difluoromethyl)-5-methylsulfonyltriazol-2-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 146144204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).