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

C9H10ClF3N2OS — CID 55175924

IUPAC2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(3,3,3-trifluoropropyl)acetamide
SMILESO=C(Cc1nc(CCl)cs1)NCCC(F)(F)F
InChIInChI=1S/C9H10ClF3N2OS/c10-4-6-5-17-8(15-6)3-7(16)14-2-1-9(11,12)13/h5H,1-4H2,(H,14,16)
InChIKeyUGGGLVQDZIPTDG-UHFFFAOYSA-N
MW286.71 g/mol
LogP2.49
Rot. Bonds5

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

2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(3,3,3-trifluoropropyl)acetamide (PubChem CID 55175924) has the molecular formula C9H10ClF3N2OS and a molecular weight of 286.71 g/mol. Its IUPAC name is 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(3,3,3-trifluoropropyl)acetamide.

Molecular Properties

Compound Name2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(3,3,3-trifluoropropyl)acetamide
PubChem CID55175924
Molecular FormulaC9H10ClF3N2OS
Molecular Weight286.71 g/mol
Exact Mass286.02
IUPAC Name2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(3,3,3-trifluoropropyl)acetamide
SMILESO=C(Cc1nc(CCl)cs1)NCCC(F)(F)F
InChIInChI=1S/C9H10ClF3N2OS/c10-4-6-5-17-8(15-6)3-7(16)14-2-1-9(11,12)13/h5H,1-4H2,(H,14,16)
InChIKeyUGGGLVQDZIPTDG-UHFFFAOYSA-N
XLogP2.49
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.71
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-(3,3,3-trifluoropropyl)acetamide?
The IUPAC name of 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(3,3,3-trifluoropropyl)acetamide (CID 55175924) is 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(3,3,3-trifluoropropyl)acetamide.
What is the SMILES notation for 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(3,3,3-trifluoropropyl)acetamide?
The canonical SMILES for 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(3,3,3-trifluoropropyl)acetamide is O=C(Cc1nc(CCl)cs1)NCCC(F)(F)F.
What is the InChIKey of 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(3,3,3-trifluoropropyl)acetamide?
The InChIKey is UGGGLVQDZIPTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF3N2OS/c10-4-6-5-17-8(15-6)3-7(16)14-2-1-9(11,12)13/h5H,1-4H2,(H,14,16).
What are the key properties of 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(3,3,3-trifluoropropyl)acetamide?
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(3,3,3-trifluoropropyl)acetamide has a molecular weight of 286.71 g/mol, XLogP of 2.49, 5 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-(3,3,3-trifluoropropyl)acetamide is sourced from PubChem (CID 55175924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).