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

C7H9Cl2F3N2S — CID 71755861

IUPAC4-(chloromethyl)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine;hydrochloride
SMILESCN(CC(F)(F)F)c1nc(CCl)cs1.Cl
InChIInChI=1S/C7H8ClF3N2S.ClH/c1-13(4-7(9,10)11)6-12-5(2-8)3-14-6;/h3H,2,4H2,1H3;1H
InChIKeyGWNDKBHTRHFZQV-UHFFFAOYSA-N
MW281.13 g/mol
LogP3.30
Rot. Bonds3

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

4-(chloromethyl)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine;hydrochloride (PubChem CID 71755861) has the molecular formula C7H9Cl2F3N2S and a molecular weight of 281.13 g/mol. Its IUPAC name is 4-(chloromethyl)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine;hydrochloride.

Molecular Properties

Compound Name4-(chloromethyl)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine;hydrochloride
PubChem CID71755861
Molecular FormulaC7H9Cl2F3N2S
Molecular Weight281.13 g/mol
Exact Mass279.98
IUPAC Name4-(chloromethyl)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine;hydrochloride
SMILESCN(CC(F)(F)F)c1nc(CCl)cs1.Cl
InChIInChI=1S/C7H8ClF3N2S.ClH/c1-13(4-7(9,10)11)6-12-5(2-8)3-14-6;/h3H,2,4H2,1H3;1H
InChIKeyGWNDKBHTRHFZQV-UHFFFAOYSA-N
XLogP3.30
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.13
LogP ≤ 53.30
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;hydrochloride?
The IUPAC name of 4-(chloromethyl)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine;hydrochloride (CID 71755861) is 4-(chloromethyl)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine;hydrochloride.
What is the SMILES notation for 4-(chloromethyl)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine;hydrochloride?
The canonical SMILES for 4-(chloromethyl)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine;hydrochloride is CN(CC(F)(F)F)c1nc(CCl)cs1.Cl.
What is the InChIKey of 4-(chloromethyl)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine;hydrochloride?
The InChIKey is GWNDKBHTRHFZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClF3N2S.ClH/c1-13(4-7(9,10)11)6-12-5(2-8)3-14-6;/h3H,2,4H2,1H3;1H.
What are the key properties of 4-(chloromethyl)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine;hydrochloride?
4-(chloromethyl)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine;hydrochloride has a molecular weight of 281.13 g/mol, XLogP of 3.30, 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;hydrochloride is sourced from PubChem (CID 71755861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).