thiolan-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone

C9H8F3NOS2 — CID 106784865

IUPACthiolan-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
SMILESO=C(c1cnc(C(F)(F)F)s1)C1CCSC1
InChIInChI=1S/C9H8F3NOS2/c10-9(11,12)8-13-3-6(16-8)7(14)5-1-2-15-4-5/h3,5H,1-2,4H2
InChIKeyRQJLYTZLZNYCQK-UHFFFAOYSA-N
MW267.30 g/mol
LogP3.10
Rot. Bonds2

About thiolan-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone

thiolan-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone (PubChem CID 106784865) has the molecular formula C9H8F3NOS2 and a molecular weight of 267.30 g/mol. Its IUPAC name is thiolan-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone.

Molecular Properties

Compound Namethiolan-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
PubChem CID106784865
Molecular FormulaC9H8F3NOS2
Molecular Weight267.30 g/mol
Exact Mass267.00
IUPAC Namethiolan-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
SMILESO=C(c1cnc(C(F)(F)F)s1)C1CCSC1
InChIInChI=1S/C9H8F3NOS2/c10-9(11,12)8-13-3-6(16-8)7(14)5-1-2-15-4-5/h3,5H,1-2,4H2
InChIKeyRQJLYTZLZNYCQK-UHFFFAOYSA-N
XLogP3.10
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of thiolan-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The IUPAC name of thiolan-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone (CID 106784865) is thiolan-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone.
What is the SMILES notation for thiolan-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The canonical SMILES for thiolan-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone is O=C(c1cnc(C(F)(F)F)s1)C1CCSC1.
What is the InChIKey of thiolan-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The InChIKey is RQJLYTZLZNYCQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NOS2/c10-9(11,12)8-13-3-6(16-8)7(14)5-1-2-15-4-5/h3,5H,1-2,4H2.
What are the key properties of thiolan-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
thiolan-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone has a molecular weight of 267.30 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for thiolan-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone is sourced from PubChem (CID 106784865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).