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

C11H12F3N3O2S2 — CID 166263702

IUPAC2-[(2-ethylpyrazol-3-yl)methylsulfonylmethyl]-4-(trifluoromethyl)-1,3-thiazole
SMILESCCn1nccc1CS(=O)(=O)Cc1nc(C(F)(F)F)cs1
InChIInChI=1S/C11H12F3N3O2S2/c1-2-17-8(3-4-15-17)6-21(18,19)7-10-16-9(5-20-10)11(12,13)14/h3-5H,2,6-7H2,1H3
InChIKeyXUMSRDUGRORFEK-UHFFFAOYSA-N
MW339.36 g/mol
LogP2.49
Rot. Bonds5

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

2-[(2-ethylpyrazol-3-yl)methylsulfonylmethyl]-4-(trifluoromethyl)-1,3-thiazole (PubChem CID 166263702) has the molecular formula C11H12F3N3O2S2 and a molecular weight of 339.36 g/mol. Its IUPAC name is 2-[(2-ethylpyrazol-3-yl)methylsulfonylmethyl]-4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-[(2-ethylpyrazol-3-yl)methylsulfonylmethyl]-4-(trifluoromethyl)-1,3-thiazole
PubChem CID166263702
Molecular FormulaC11H12F3N3O2S2
Molecular Weight339.36 g/mol
Exact Mass339.03
IUPAC Name2-[(2-ethylpyrazol-3-yl)methylsulfonylmethyl]-4-(trifluoromethyl)-1,3-thiazole
SMILESCCn1nccc1CS(=O)(=O)Cc1nc(C(F)(F)F)cs1
InChIInChI=1S/C11H12F3N3O2S2/c1-2-17-8(3-4-15-17)6-21(18,19)7-10-16-9(5-20-10)11(12,13)14/h3-5H,2,6-7H2,1H3
InChIKeyXUMSRDUGRORFEK-UHFFFAOYSA-N
XLogP2.49
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethylpyrazol-3-yl)methylsulfonylmethyl]-4-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 2-[(2-ethylpyrazol-3-yl)methylsulfonylmethyl]-4-(trifluoromethyl)-1,3-thiazole (CID 166263702) is 2-[(2-ethylpyrazol-3-yl)methylsulfonylmethyl]-4-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 2-[(2-ethylpyrazol-3-yl)methylsulfonylmethyl]-4-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 2-[(2-ethylpyrazol-3-yl)methylsulfonylmethyl]-4-(trifluoromethyl)-1,3-thiazole is CCn1nccc1CS(=O)(=O)Cc1nc(C(F)(F)F)cs1.
What is the InChIKey of 2-[(2-ethylpyrazol-3-yl)methylsulfonylmethyl]-4-(trifluoromethyl)-1,3-thiazole?
The InChIKey is XUMSRDUGRORFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3O2S2/c1-2-17-8(3-4-15-17)6-21(18,19)7-10-16-9(5-20-10)11(12,13)14/h3-5H,2,6-7H2,1H3.
What are the key properties of 2-[(2-ethylpyrazol-3-yl)methylsulfonylmethyl]-4-(trifluoromethyl)-1,3-thiazole?
2-[(2-ethylpyrazol-3-yl)methylsulfonylmethyl]-4-(trifluoromethyl)-1,3-thiazole has a molecular weight of 339.36 g/mol, XLogP of 2.49, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethylpyrazol-3-yl)methylsulfonylmethyl]-4-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 166263702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).