2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(5,5,5-trifluoropentyl)acetamide

C11H14ClF3N2OS — CID 115521514

IUPAC2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(5,5,5-trifluoropentyl)acetamide
SMILESO=C(Cc1nc(CCl)cs1)NCCCCC(F)(F)F
InChIInChI=1S/C11H14ClF3N2OS/c12-6-8-7-19-10(17-8)5-9(18)16-4-2-1-3-11(13,14)15/h7H,1-6H2,(H,16,18)
InChIKeyDPVLFAGJSGZNMM-UHFFFAOYSA-N
MW314.76 g/mol
LogP3.27
Rot. Bonds7

About 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(5,5,5-trifluoropentyl)acetamide

2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(5,5,5-trifluoropentyl)acetamide (PubChem CID 115521514) has the molecular formula C11H14ClF3N2OS and a molecular weight of 314.76 g/mol. Its IUPAC name is 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(5,5,5-trifluoropentyl)acetamide.

Molecular Properties

Compound Name2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(5,5,5-trifluoropentyl)acetamide
PubChem CID115521514
Molecular FormulaC11H14ClF3N2OS
Molecular Weight314.76 g/mol
Exact Mass314.05
IUPAC Name2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(5,5,5-trifluoropentyl)acetamide
SMILESO=C(Cc1nc(CCl)cs1)NCCCCC(F)(F)F
InChIInChI=1S/C11H14ClF3N2OS/c12-6-8-7-19-10(17-8)5-9(18)16-4-2-1-3-11(13,14)15/h7H,1-6H2,(H,16,18)
InChIKeyDPVLFAGJSGZNMM-UHFFFAOYSA-N
XLogP3.27
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.76
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(5,5,5-trifluoropentyl)acetamide?
The IUPAC name of 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(5,5,5-trifluoropentyl)acetamide (CID 115521514) is 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(5,5,5-trifluoropentyl)acetamide.
What is the SMILES notation for 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(5,5,5-trifluoropentyl)acetamide?
The canonical SMILES for 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(5,5,5-trifluoropentyl)acetamide is O=C(Cc1nc(CCl)cs1)NCCCCC(F)(F)F.
What is the InChIKey of 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(5,5,5-trifluoropentyl)acetamide?
The InChIKey is DPVLFAGJSGZNMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClF3N2OS/c12-6-8-7-19-10(17-8)5-9(18)16-4-2-1-3-11(13,14)15/h7H,1-6H2,(H,16,18).
What are the key properties of 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(5,5,5-trifluoropentyl)acetamide?
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(5,5,5-trifluoropentyl)acetamide has a molecular weight of 314.76 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(5,5,5-trifluoropentyl)acetamide is sourced from PubChem (CID 115521514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).