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

C9H14F2N2OS — CID 107485015

IUPAC2-[2,2-difluoroethyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]ethanol
SMILESCc1nc(CN(CCO)CC(F)F)cs1
InChIInChI=1S/C9H14F2N2OS/c1-7-12-8(6-15-7)4-13(2-3-14)5-9(10)11/h6,9,14H,2-5H2,1H3
InChIKeyIGSFBQSSZUUWII-UHFFFAOYSA-N
MW236.29 g/mol
LogP1.51
Rot. Bonds6

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

2-[2,2-difluoroethyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]ethanol (PubChem CID 107485015) has the molecular formula C9H14F2N2OS and a molecular weight of 236.29 g/mol. Its IUPAC name is 2-[2,2-difluoroethyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-[2,2-difluoroethyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]ethanol
PubChem CID107485015
Molecular FormulaC9H14F2N2OS
Molecular Weight236.29 g/mol
Exact Mass236.08
IUPAC Name2-[2,2-difluoroethyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]ethanol
SMILESCc1nc(CN(CCO)CC(F)F)cs1
InChIInChI=1S/C9H14F2N2OS/c1-7-12-8(6-15-7)4-13(2-3-14)5-9(10)11/h6,9,14H,2-5H2,1H3
InChIKeyIGSFBQSSZUUWII-UHFFFAOYSA-N
XLogP1.51
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2,2-difluoroethyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]ethanol?
The IUPAC name of 2-[2,2-difluoroethyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]ethanol (CID 107485015) is 2-[2,2-difluoroethyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]ethanol.
What is the SMILES notation for 2-[2,2-difluoroethyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]ethanol?
The canonical SMILES for 2-[2,2-difluoroethyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]ethanol is Cc1nc(CN(CCO)CC(F)F)cs1.
What is the InChIKey of 2-[2,2-difluoroethyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]ethanol?
The InChIKey is IGSFBQSSZUUWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N2OS/c1-7-12-8(6-15-7)4-13(2-3-14)5-9(10)11/h6,9,14H,2-5H2,1H3.
What are the key properties of 2-[2,2-difluoroethyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]ethanol?
2-[2,2-difluoroethyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]ethanol has a molecular weight of 236.29 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-difluoroethyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]ethanol is sourced from PubChem (CID 107485015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).