1,1-difluoro-3-[1-(1,3-thiazol-5-yl)ethylamino]propan-2-ol

C8H12F2N2OS — CID 103787929

IUPAC1,1-difluoro-3-[1-(1,3-thiazol-5-yl)ethylamino]propan-2-ol
SMILESCC(NCC(O)C(F)F)c1cncs1
InChIInChI=1S/C8H12F2N2OS/c1-5(7-3-11-4-14-7)12-2-6(13)8(9)10/h3-6,8,12-13H,2H2,1H3
InChIKeyFSRHPIRQKYYFAB-UHFFFAOYSA-N
MW222.26 g/mol
LogP1.42
Rot. Bonds5

About 1,1-difluoro-3-[1-(1,3-thiazol-5-yl)ethylamino]propan-2-ol

1,1-difluoro-3-[1-(1,3-thiazol-5-yl)ethylamino]propan-2-ol (PubChem CID 103787929) has the molecular formula C8H12F2N2OS and a molecular weight of 222.26 g/mol. Its IUPAC name is 1,1-difluoro-3-[1-(1,3-thiazol-5-yl)ethylamino]propan-2-ol.

Molecular Properties

Compound Name1,1-difluoro-3-[1-(1,3-thiazol-5-yl)ethylamino]propan-2-ol
PubChem CID103787929
Molecular FormulaC8H12F2N2OS
Molecular Weight222.26 g/mol
Exact Mass222.06
IUPAC Name1,1-difluoro-3-[1-(1,3-thiazol-5-yl)ethylamino]propan-2-ol
SMILESCC(NCC(O)C(F)F)c1cncs1
InChIInChI=1S/C8H12F2N2OS/c1-5(7-3-11-4-14-7)12-2-6(13)8(9)10/h3-6,8,12-13H,2H2,1H3
InChIKeyFSRHPIRQKYYFAB-UHFFFAOYSA-N
XLogP1.42
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-3-[1-(1,3-thiazol-5-yl)ethylamino]propan-2-ol?
The IUPAC name of 1,1-difluoro-3-[1-(1,3-thiazol-5-yl)ethylamino]propan-2-ol (CID 103787929) is 1,1-difluoro-3-[1-(1,3-thiazol-5-yl)ethylamino]propan-2-ol.
What is the SMILES notation for 1,1-difluoro-3-[1-(1,3-thiazol-5-yl)ethylamino]propan-2-ol?
The canonical SMILES for 1,1-difluoro-3-[1-(1,3-thiazol-5-yl)ethylamino]propan-2-ol is CC(NCC(O)C(F)F)c1cncs1.
What is the InChIKey of 1,1-difluoro-3-[1-(1,3-thiazol-5-yl)ethylamino]propan-2-ol?
The InChIKey is FSRHPIRQKYYFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N2OS/c1-5(7-3-11-4-14-7)12-2-6(13)8(9)10/h3-6,8,12-13H,2H2,1H3.
What are the key properties of 1,1-difluoro-3-[1-(1,3-thiazol-5-yl)ethylamino]propan-2-ol?
1,1-difluoro-3-[1-(1,3-thiazol-5-yl)ethylamino]propan-2-ol has a molecular weight of 222.26 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-3-[1-(1,3-thiazol-5-yl)ethylamino]propan-2-ol is sourced from PubChem (CID 103787929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).