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

C10H15ClF2N2OS — CID 107482050

IUPAC2-[1-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl-(2,2-difluoroethyl)amino]ethanol
SMILESCC(c1nc(CCl)cs1)N(CCO)CC(F)F
InChIInChI=1S/C10H15ClF2N2OS/c1-7(10-14-8(4-11)6-17-10)15(2-3-16)5-9(12)13/h6-7,9,16H,2-5H2,1H3
InChIKeyRMOPZAZTRFHXHT-UHFFFAOYSA-N
MW284.76 g/mol
LogP2.50
Rot. Bonds7

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

2-[1-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl-(2,2-difluoroethyl)amino]ethanol (PubChem CID 107482050) has the molecular formula C10H15ClF2N2OS and a molecular weight of 284.76 g/mol. Its IUPAC name is 2-[1-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl-(2,2-difluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[1-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl-(2,2-difluoroethyl)amino]ethanol
PubChem CID107482050
Molecular FormulaC10H15ClF2N2OS
Molecular Weight284.76 g/mol
Exact Mass284.06
IUPAC Name2-[1-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl-(2,2-difluoroethyl)amino]ethanol
SMILESCC(c1nc(CCl)cs1)N(CCO)CC(F)F
InChIInChI=1S/C10H15ClF2N2OS/c1-7(10-14-8(4-11)6-17-10)15(2-3-16)5-9(12)13/h6-7,9,16H,2-5H2,1H3
InChIKeyRMOPZAZTRFHXHT-UHFFFAOYSA-N
XLogP2.50
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.76
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[1-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl-(2,2-difluoroethyl)amino]ethanol?
The IUPAC name of 2-[1-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl-(2,2-difluoroethyl)amino]ethanol (CID 107482050) is 2-[1-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl-(2,2-difluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[1-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl-(2,2-difluoroethyl)amino]ethanol?
The canonical SMILES for 2-[1-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl-(2,2-difluoroethyl)amino]ethanol is CC(c1nc(CCl)cs1)N(CCO)CC(F)F.
What is the InChIKey of 2-[1-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl-(2,2-difluoroethyl)amino]ethanol?
The InChIKey is RMOPZAZTRFHXHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClF2N2OS/c1-7(10-14-8(4-11)6-17-10)15(2-3-16)5-9(12)13/h6-7,9,16H,2-5H2,1H3.
What are the key properties of 2-[1-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl-(2,2-difluoroethyl)amino]ethanol?
2-[1-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl-(2,2-difluoroethyl)amino]ethanol has a molecular weight of 284.76 g/mol, XLogP of 2.50, 7 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-difluoroethyl)amino]ethanol is sourced from PubChem (CID 107482050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).