4-(trifluoromethyl)-1,3-thiazole-5-carbonyl chloride

C5HClF3NOS — CID 135150553

IUPAC4-(trifluoromethyl)-1,3-thiazole-5-carbonyl chloride
SMILESO=C(Cl)c1scnc1C(F)(F)F
InChIInChI=1S/C5HClF3NOS/c6-4(11)2-3(5(7,8)9)10-1-12-2/h1H
InChIKeyGPKTXDKGGOSLRN-UHFFFAOYSA-N
MW215.58 g/mol
LogP2.54
Rot. Bonds1

About 4-(trifluoromethyl)-1,3-thiazole-5-carbonyl chloride

4-(trifluoromethyl)-1,3-thiazole-5-carbonyl chloride (PubChem CID 135150553) has the molecular formula C5HClF3NOS and a molecular weight of 215.58 g/mol. Its IUPAC name is 4-(trifluoromethyl)-1,3-thiazole-5-carbonyl chloride.

Molecular Properties

Compound Name4-(trifluoromethyl)-1,3-thiazole-5-carbonyl chloride
PubChem CID135150553
Molecular FormulaC5HClF3NOS
Molecular Weight215.58 g/mol
Exact Mass214.94
IUPAC Name4-(trifluoromethyl)-1,3-thiazole-5-carbonyl chloride
SMILESO=C(Cl)c1scnc1C(F)(F)F
InChIInChI=1S/C5HClF3NOS/c6-4(11)2-3(5(7,8)9)10-1-12-2/h1H
InChIKeyGPKTXDKGGOSLRN-UHFFFAOYSA-N
XLogP2.54
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.58
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)-1,3-thiazole-5-carbonyl chloride?
The IUPAC name of 4-(trifluoromethyl)-1,3-thiazole-5-carbonyl chloride (CID 135150553) is 4-(trifluoromethyl)-1,3-thiazole-5-carbonyl chloride.
What is the SMILES notation for 4-(trifluoromethyl)-1,3-thiazole-5-carbonyl chloride?
The canonical SMILES for 4-(trifluoromethyl)-1,3-thiazole-5-carbonyl chloride is O=C(Cl)c1scnc1C(F)(F)F.
What is the InChIKey of 4-(trifluoromethyl)-1,3-thiazole-5-carbonyl chloride?
The InChIKey is GPKTXDKGGOSLRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5HClF3NOS/c6-4(11)2-3(5(7,8)9)10-1-12-2/h1H.
What are the key properties of 4-(trifluoromethyl)-1,3-thiazole-5-carbonyl chloride?
4-(trifluoromethyl)-1,3-thiazole-5-carbonyl chloride has a molecular weight of 215.58 g/mol, XLogP of 2.54, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)-1,3-thiazole-5-carbonyl chloride is sourced from PubChem (CID 135150553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).