4-(chloromethyl)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine

C7H8ClF3N2S — CID 60893134

IUPAC4-(chloromethyl)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCN(CC(F)(F)F)c1nc(CCl)cs1
InChIInChI=1S/C7H8ClF3N2S/c1-13(4-7(9,10)11)6-12-5(2-8)3-14-6/h3H,2,4H2,1H3
InChIKeyPAWKUEHELUICII-UHFFFAOYSA-N
MW244.67 g/mol
LogP2.88
Rot. Bonds3

About 4-(chloromethyl)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine

4-(chloromethyl)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (PubChem CID 60893134) has the molecular formula C7H8ClF3N2S and a molecular weight of 244.67 g/mol. Its IUPAC name is 4-(chloromethyl)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(chloromethyl)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
PubChem CID60893134
Molecular FormulaC7H8ClF3N2S
Molecular Weight244.67 g/mol
Exact Mass244.00
IUPAC Name4-(chloromethyl)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCN(CC(F)(F)F)c1nc(CCl)cs1
InChIInChI=1S/C7H8ClF3N2S/c1-13(4-7(9,10)11)6-12-5(2-8)3-14-6/h3H,2,4H2,1H3
InChIKeyPAWKUEHELUICII-UHFFFAOYSA-N
XLogP2.88
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.67
LogP ≤ 52.88
H-Bond Donors ≤ 50
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 4-(chloromethyl)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(chloromethyl)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (CID 60893134) is 4-(chloromethyl)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(chloromethyl)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(chloromethyl)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is CN(CC(F)(F)F)c1nc(CCl)cs1.
What is the InChIKey of 4-(chloromethyl)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The InChIKey is PAWKUEHELUICII-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClF3N2S/c1-13(4-7(9,10)11)6-12-5(2-8)3-14-6/h3H,2,4H2,1H3.
What are the key properties of 4-(chloromethyl)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
4-(chloromethyl)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine has a molecular weight of 244.67 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 60893134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).