2-[(1-ethyltriazol-4-yl)methylsulfonylmethyl]-4-(trifluoromethyl)-1,3-thiazole

C10H11F3N4O2S2 — CID 167979878

IUPAC2-[(1-ethyltriazol-4-yl)methylsulfonylmethyl]-4-(trifluoromethyl)-1,3-thiazole
SMILESCCn1cc(CS(=O)(=O)Cc2nc(C(F)(F)F)cs2)nn1
InChIInChI=1S/C10H11F3N4O2S2/c1-2-17-3-7(15-16-17)5-21(18,19)6-9-14-8(4-20-9)10(11,12)13/h3-4H,2,5-6H2,1H3
InChIKeyQDUVPOQLYGRUKW-UHFFFAOYSA-N
MW340.35 g/mol
LogP1.89
Rot. Bonds5

About 2-[(1-ethyltriazol-4-yl)methylsulfonylmethyl]-4-(trifluoromethyl)-1,3-thiazole

2-[(1-ethyltriazol-4-yl)methylsulfonylmethyl]-4-(trifluoromethyl)-1,3-thiazole (PubChem CID 167979878) has the molecular formula C10H11F3N4O2S2 and a molecular weight of 340.35 g/mol. Its IUPAC name is 2-[(1-ethyltriazol-4-yl)methylsulfonylmethyl]-4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-[(1-ethyltriazol-4-yl)methylsulfonylmethyl]-4-(trifluoromethyl)-1,3-thiazole
PubChem CID167979878
Molecular FormulaC10H11F3N4O2S2
Molecular Weight340.35 g/mol
Exact Mass340.03
IUPAC Name2-[(1-ethyltriazol-4-yl)methylsulfonylmethyl]-4-(trifluoromethyl)-1,3-thiazole
SMILESCCn1cc(CS(=O)(=O)Cc2nc(C(F)(F)F)cs2)nn1
InChIInChI=1S/C10H11F3N4O2S2/c1-2-17-3-7(15-16-17)5-21(18,19)6-9-14-8(4-20-9)10(11,12)13/h3-4H,2,5-6H2,1H3
InChIKeyQDUVPOQLYGRUKW-UHFFFAOYSA-N
XLogP1.89
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethyltriazol-4-yl)methylsulfonylmethyl]-4-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 2-[(1-ethyltriazol-4-yl)methylsulfonylmethyl]-4-(trifluoromethyl)-1,3-thiazole (CID 167979878) is 2-[(1-ethyltriazol-4-yl)methylsulfonylmethyl]-4-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 2-[(1-ethyltriazol-4-yl)methylsulfonylmethyl]-4-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 2-[(1-ethyltriazol-4-yl)methylsulfonylmethyl]-4-(trifluoromethyl)-1,3-thiazole is CCn1cc(CS(=O)(=O)Cc2nc(C(F)(F)F)cs2)nn1.
What is the InChIKey of 2-[(1-ethyltriazol-4-yl)methylsulfonylmethyl]-4-(trifluoromethyl)-1,3-thiazole?
The InChIKey is QDUVPOQLYGRUKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N4O2S2/c1-2-17-3-7(15-16-17)5-21(18,19)6-9-14-8(4-20-9)10(11,12)13/h3-4H,2,5-6H2,1H3.
What are the key properties of 2-[(1-ethyltriazol-4-yl)methylsulfonylmethyl]-4-(trifluoromethyl)-1,3-thiazole?
2-[(1-ethyltriazol-4-yl)methylsulfonylmethyl]-4-(trifluoromethyl)-1,3-thiazole has a molecular weight of 340.35 g/mol, XLogP of 1.89, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethyltriazol-4-yl)methylsulfonylmethyl]-4-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 167979878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).