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

C10H16F2N2OS — CID 107485022

IUPAC2-[2,2-difluoroethyl-[(2-ethyl-1,3-thiazol-4-yl)methyl]amino]ethanol
SMILESCCc1nc(CN(CCO)CC(F)F)cs1
InChIInChI=1S/C10H16F2N2OS/c1-2-10-13-8(7-16-10)5-14(3-4-15)6-9(11)12/h7,9,15H,2-6H2,1H3
InChIKeyOTSLQQBRPKHWEQ-UHFFFAOYSA-N
MW250.31 g/mol
LogP1.76
Rot. Bonds7

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

2-[2,2-difluoroethyl-[(2-ethyl-1,3-thiazol-4-yl)methyl]amino]ethanol (PubChem CID 107485022) has the molecular formula C10H16F2N2OS and a molecular weight of 250.31 g/mol. Its IUPAC name is 2-[2,2-difluoroethyl-[(2-ethyl-1,3-thiazol-4-yl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-[2,2-difluoroethyl-[(2-ethyl-1,3-thiazol-4-yl)methyl]amino]ethanol
PubChem CID107485022
Molecular FormulaC10H16F2N2OS
Molecular Weight250.31 g/mol
Exact Mass250.10
IUPAC Name2-[2,2-difluoroethyl-[(2-ethyl-1,3-thiazol-4-yl)methyl]amino]ethanol
SMILESCCc1nc(CN(CCO)CC(F)F)cs1
InChIInChI=1S/C10H16F2N2OS/c1-2-10-13-8(7-16-10)5-14(3-4-15)6-9(11)12/h7,9,15H,2-6H2,1H3
InChIKeyOTSLQQBRPKHWEQ-UHFFFAOYSA-N
XLogP1.76
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 51.76
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-ethyl-1,3-thiazol-4-yl)methyl]amino]ethanol?
The IUPAC name of 2-[2,2-difluoroethyl-[(2-ethyl-1,3-thiazol-4-yl)methyl]amino]ethanol (CID 107485022) is 2-[2,2-difluoroethyl-[(2-ethyl-1,3-thiazol-4-yl)methyl]amino]ethanol.
What is the SMILES notation for 2-[2,2-difluoroethyl-[(2-ethyl-1,3-thiazol-4-yl)methyl]amino]ethanol?
The canonical SMILES for 2-[2,2-difluoroethyl-[(2-ethyl-1,3-thiazol-4-yl)methyl]amino]ethanol is CCc1nc(CN(CCO)CC(F)F)cs1.
What is the InChIKey of 2-[2,2-difluoroethyl-[(2-ethyl-1,3-thiazol-4-yl)methyl]amino]ethanol?
The InChIKey is OTSLQQBRPKHWEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N2OS/c1-2-10-13-8(7-16-10)5-14(3-4-15)6-9(11)12/h7,9,15H,2-6H2,1H3.
What are the key properties of 2-[2,2-difluoroethyl-[(2-ethyl-1,3-thiazol-4-yl)methyl]amino]ethanol?
2-[2,2-difluoroethyl-[(2-ethyl-1,3-thiazol-4-yl)methyl]amino]ethanol has a molecular weight of 250.31 g/mol, XLogP of 1.76, 7 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-ethyl-1,3-thiazol-4-yl)methyl]amino]ethanol is sourced from PubChem (CID 107485022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).