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

C10H9F5N4O2S2 — CID 167848124

IUPAC2-[[5-(difluoromethyl)-1-methyltriazol-4-yl]methylsulfonylmethyl]-4-(trifluoromethyl)-1,3-thiazole
SMILESCn1nnc(CS(=O)(=O)Cc2nc(C(F)(F)F)cs2)c1C(F)F
InChIInChI=1S/C10H9F5N4O2S2/c1-19-8(9(11)12)5(17-18-19)3-23(20,21)4-7-16-6(2-22-7)10(13,14)15/h2,9H,3-4H2,1H3
InChIKeyCQRUNXCUDVNOGU-UHFFFAOYSA-N
MW376.33 g/mol
LogP2.34
Rot. Bonds5

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

2-[[5-(difluoromethyl)-1-methyltriazol-4-yl]methylsulfonylmethyl]-4-(trifluoromethyl)-1,3-thiazole (PubChem CID 167848124) has the molecular formula C10H9F5N4O2S2 and a molecular weight of 376.33 g/mol. Its IUPAC name is 2-[[5-(difluoromethyl)-1-methyltriazol-4-yl]methylsulfonylmethyl]-4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-[[5-(difluoromethyl)-1-methyltriazol-4-yl]methylsulfonylmethyl]-4-(trifluoromethyl)-1,3-thiazole
PubChem CID167848124
Molecular FormulaC10H9F5N4O2S2
Molecular Weight376.33 g/mol
Exact Mass376.01
IUPAC Name2-[[5-(difluoromethyl)-1-methyltriazol-4-yl]methylsulfonylmethyl]-4-(trifluoromethyl)-1,3-thiazole
SMILESCn1nnc(CS(=O)(=O)Cc2nc(C(F)(F)F)cs2)c1C(F)F
InChIInChI=1S/C10H9F5N4O2S2/c1-19-8(9(11)12)5(17-18-19)3-23(20,21)4-7-16-6(2-22-7)10(13,14)15/h2,9H,3-4H2,1H3
InChIKeyCQRUNXCUDVNOGU-UHFFFAOYSA-N
XLogP2.34
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.33
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(difluoromethyl)-1-methyltriazol-4-yl]methylsulfonylmethyl]-4-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 2-[[5-(difluoromethyl)-1-methyltriazol-4-yl]methylsulfonylmethyl]-4-(trifluoromethyl)-1,3-thiazole (CID 167848124) is 2-[[5-(difluoromethyl)-1-methyltriazol-4-yl]methylsulfonylmethyl]-4-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 2-[[5-(difluoromethyl)-1-methyltriazol-4-yl]methylsulfonylmethyl]-4-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 2-[[5-(difluoromethyl)-1-methyltriazol-4-yl]methylsulfonylmethyl]-4-(trifluoromethyl)-1,3-thiazole is Cn1nnc(CS(=O)(=O)Cc2nc(C(F)(F)F)cs2)c1C(F)F.
What is the InChIKey of 2-[[5-(difluoromethyl)-1-methyltriazol-4-yl]methylsulfonylmethyl]-4-(trifluoromethyl)-1,3-thiazole?
The InChIKey is CQRUNXCUDVNOGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F5N4O2S2/c1-19-8(9(11)12)5(17-18-19)3-23(20,21)4-7-16-6(2-22-7)10(13,14)15/h2,9H,3-4H2,1H3.
What are the key properties of 2-[[5-(difluoromethyl)-1-methyltriazol-4-yl]methylsulfonylmethyl]-4-(trifluoromethyl)-1,3-thiazole?
2-[[5-(difluoromethyl)-1-methyltriazol-4-yl]methylsulfonylmethyl]-4-(trifluoromethyl)-1,3-thiazole has a molecular weight of 376.33 g/mol, XLogP of 2.34, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(difluoromethyl)-1-methyltriazol-4-yl]methylsulfonylmethyl]-4-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 167848124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).