2-[1-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl-(2,2,2-trifluoroethyl)amino]ethanol

C10H14ClF3N2OS — CID 107482055

IUPAC2-[1-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCC(c1nc(CCl)cs1)N(CCO)CC(F)(F)F
InChIInChI=1S/C10H14ClF3N2OS/c1-7(9-15-8(4-11)5-18-9)16(2-3-17)6-10(12,13)14/h5,7,17H,2-4,6H2,1H3
InChIKeyWPPVVHNTMJNXBI-UHFFFAOYSA-N
MW302.75 g/mol
LogP2.80
Rot. Bonds6

About 2-[1-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl-(2,2,2-trifluoroethyl)amino]ethanol

2-[1-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl-(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 107482055) has the molecular formula C10H14ClF3N2OS and a molecular weight of 302.75 g/mol. Its IUPAC name is 2-[1-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl-(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[1-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl-(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID107482055
Molecular FormulaC10H14ClF3N2OS
Molecular Weight302.75 g/mol
Exact Mass302.05
IUPAC Name2-[1-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCC(c1nc(CCl)cs1)N(CCO)CC(F)(F)F
InChIInChI=1S/C10H14ClF3N2OS/c1-7(9-15-8(4-11)5-18-9)16(2-3-17)6-10(12,13)14/h5,7,17H,2-4,6H2,1H3
InChIKeyWPPVVHNTMJNXBI-UHFFFAOYSA-N
XLogP2.80
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.75
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[1-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl-(2,2,2-trifluoroethyl)amino]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl-(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[1-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl-(2,2,2-trifluoroethyl)amino]ethanol (CID 107482055) is 2-[1-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl-(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[1-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl-(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[1-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl-(2,2,2-trifluoroethyl)amino]ethanol is CC(c1nc(CCl)cs1)N(CCO)CC(F)(F)F.
What is the InChIKey of 2-[1-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl-(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is WPPVVHNTMJNXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClF3N2OS/c1-7(9-15-8(4-11)5-18-9)16(2-3-17)6-10(12,13)14/h5,7,17H,2-4,6H2,1H3.
What are the key properties of 2-[1-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl-(2,2,2-trifluoroethyl)amino]ethanol?
2-[1-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl-(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 302.75 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl-(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 107482055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).