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

C10H11F3N4O2S2 — CID 166225125

IUPAC2-[(2-ethyl-1,2,4-triazol-3-yl)methylsulfonylmethyl]-4-(trifluoromethyl)-1,3-thiazole
SMILESCCn1ncnc1CS(=O)(=O)Cc1nc(C(F)(F)F)cs1
InChIInChI=1S/C10H11F3N4O2S2/c1-2-17-8(14-6-15-17)4-21(18,19)5-9-16-7(3-20-9)10(11,12)13/h3,6H,2,4-5H2,1H3
InChIKeyMATGOPQNKMQFBZ-UHFFFAOYSA-N
MW340.35 g/mol
LogP1.89
Rot. Bonds5

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

2-[(2-ethyl-1,2,4-triazol-3-yl)methylsulfonylmethyl]-4-(trifluoromethyl)-1,3-thiazole (PubChem CID 166225125) has the molecular formula C10H11F3N4O2S2 and a molecular weight of 340.35 g/mol. Its IUPAC name is 2-[(2-ethyl-1,2,4-triazol-3-yl)methylsulfonylmethyl]-4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-[(2-ethyl-1,2,4-triazol-3-yl)methylsulfonylmethyl]-4-(trifluoromethyl)-1,3-thiazole
PubChem CID166225125
Molecular FormulaC10H11F3N4O2S2
Molecular Weight340.35 g/mol
Exact Mass340.03
IUPAC Name2-[(2-ethyl-1,2,4-triazol-3-yl)methylsulfonylmethyl]-4-(trifluoromethyl)-1,3-thiazole
SMILESCCn1ncnc1CS(=O)(=O)Cc1nc(C(F)(F)F)cs1
InChIInChI=1S/C10H11F3N4O2S2/c1-2-17-8(14-6-15-17)4-21(18,19)5-9-16-7(3-20-9)10(11,12)13/h3,6H,2,4-5H2,1H3
InChIKeyMATGOPQNKMQFBZ-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-[(2-ethyl-1,2,4-triazol-3-yl)methylsulfonylmethyl]-4-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 2-[(2-ethyl-1,2,4-triazol-3-yl)methylsulfonylmethyl]-4-(trifluoromethyl)-1,3-thiazole (CID 166225125) is 2-[(2-ethyl-1,2,4-triazol-3-yl)methylsulfonylmethyl]-4-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 2-[(2-ethyl-1,2,4-triazol-3-yl)methylsulfonylmethyl]-4-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 2-[(2-ethyl-1,2,4-triazol-3-yl)methylsulfonylmethyl]-4-(trifluoromethyl)-1,3-thiazole is CCn1ncnc1CS(=O)(=O)Cc1nc(C(F)(F)F)cs1.
What is the InChIKey of 2-[(2-ethyl-1,2,4-triazol-3-yl)methylsulfonylmethyl]-4-(trifluoromethyl)-1,3-thiazole?
The InChIKey is MATGOPQNKMQFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N4O2S2/c1-2-17-8(14-6-15-17)4-21(18,19)5-9-16-7(3-20-9)10(11,12)13/h3,6H,2,4-5H2,1H3.
What are the key properties of 2-[(2-ethyl-1,2,4-triazol-3-yl)methylsulfonylmethyl]-4-(trifluoromethyl)-1,3-thiazole?
2-[(2-ethyl-1,2,4-triazol-3-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-[(2-ethyl-1,2,4-triazol-3-yl)methylsulfonylmethyl]-4-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 166225125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).