[3-(trifluoromethyl)-2H-1,3-thiazol-1-ylidene]methanone

C5H4F3NOS — CID 154321573

IUPAC[3-(trifluoromethyl)-2H-1,3-thiazol-1-ylidene]methanone
SMILESO=C=S1C=CN(C(F)(F)F)C1
InChIInChI=1S/C5H4F3NOS/c6-5(7,8)9-1-2-11(3-9)4-10/h1-2H,3H2
InChIKeyAODFUGPVVNYUJR-UHFFFAOYSA-N
MW183.15 g/mol
LogP1.59
Rot. Bonds

About [3-(trifluoromethyl)-2H-1,3-thiazol-1-ylidene]methanone

[3-(trifluoromethyl)-2H-1,3-thiazol-1-ylidene]methanone (PubChem CID 154321573) has the molecular formula C5H4F3NOS and a molecular weight of 183.15 g/mol. Its IUPAC name is [3-(trifluoromethyl)-2H-1,3-thiazol-1-ylidene]methanone.

Molecular Properties

Compound Name[3-(trifluoromethyl)-2H-1,3-thiazol-1-ylidene]methanone
PubChem CID154321573
Molecular FormulaC5H4F3NOS
Molecular Weight183.15 g/mol
Exact Mass183.00
IUPAC Name[3-(trifluoromethyl)-2H-1,3-thiazol-1-ylidene]methanone
SMILESO=C=S1C=CN(C(F)(F)F)C1
InChIInChI=1S/C5H4F3NOS/c6-5(7,8)9-1-2-11(3-9)4-10/h1-2H,3H2
InChIKeyAODFUGPVVNYUJR-UHFFFAOYSA-N
XLogP1.59
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.15
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-(trifluoromethyl)-2H-1,3-thiazol-1-ylidene]methanone?
The IUPAC name of [3-(trifluoromethyl)-2H-1,3-thiazol-1-ylidene]methanone (CID 154321573) is [3-(trifluoromethyl)-2H-1,3-thiazol-1-ylidene]methanone.
What is the SMILES notation for [3-(trifluoromethyl)-2H-1,3-thiazol-1-ylidene]methanone?
The canonical SMILES for [3-(trifluoromethyl)-2H-1,3-thiazol-1-ylidene]methanone is O=C=S1C=CN(C(F)(F)F)C1.
What is the InChIKey of [3-(trifluoromethyl)-2H-1,3-thiazol-1-ylidene]methanone?
The InChIKey is AODFUGPVVNYUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F3NOS/c6-5(7,8)9-1-2-11(3-9)4-10/h1-2H,3H2.
What are the key properties of [3-(trifluoromethyl)-2H-1,3-thiazol-1-ylidene]methanone?
[3-(trifluoromethyl)-2H-1,3-thiazol-1-ylidene]methanone has a molecular weight of 183.15 g/mol, XLogP of 1.59, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(trifluoromethyl)-2H-1,3-thiazol-1-ylidene]methanone is sourced from PubChem (CID 154321573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).