2-[(3-amino-1,2-thiazol-5-yl)-(2,2-difluoroethyl)amino]ethanol

C7H11F2N3OS — CID 107495513

IUPAC2-[(3-amino-1,2-thiazol-5-yl)-(2,2-difluoroethyl)amino]ethanol
SMILESNc1cc(N(CCO)CC(F)F)sn1
InChIInChI=1S/C7H11F2N3OS/c8-5(9)4-12(1-2-13)7-3-6(10)11-14-7/h3,5,13H,1-2,4H2,(H2,10,11)
InChIKeyIDYFUGOARWJYMC-UHFFFAOYSA-N
MW223.25 g/mol
LogP0.79
Rot. Bonds5

About 2-[(3-amino-1,2-thiazol-5-yl)-(2,2-difluoroethyl)amino]ethanol

2-[(3-amino-1,2-thiazol-5-yl)-(2,2-difluoroethyl)amino]ethanol (PubChem CID 107495513) has the molecular formula C7H11F2N3OS and a molecular weight of 223.25 g/mol. Its IUPAC name is 2-[(3-amino-1,2-thiazol-5-yl)-(2,2-difluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(3-amino-1,2-thiazol-5-yl)-(2,2-difluoroethyl)amino]ethanol
PubChem CID107495513
Molecular FormulaC7H11F2N3OS
Molecular Weight223.25 g/mol
Exact Mass223.06
IUPAC Name2-[(3-amino-1,2-thiazol-5-yl)-(2,2-difluoroethyl)amino]ethanol
SMILESNc1cc(N(CCO)CC(F)F)sn1
InChIInChI=1S/C7H11F2N3OS/c8-5(9)4-12(1-2-13)7-3-6(10)11-14-7/h3,5,13H,1-2,4H2,(H2,10,11)
InChIKeyIDYFUGOARWJYMC-UHFFFAOYSA-N
XLogP0.79
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-N-methyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
CID 103360598
5-N-propan-2-yl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
CID 103360699
5-N-ethyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
CID 103360709
5-N-propyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
CID 103360729
5-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2-thiazole-3,5-diamine
CID 103361721
5-N-methyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine
CID 103363225
5-N-(2,2-difluoroethyl)-5-N-methyl-1,2-thiazole-3,5-diamine
CID 103365695
3-[(3-Amino-1,2-thiazol-5-yl)amino]-1,1,1-trifluoropropan-2-ol
CID 105649926
3-[(3-Amino-1,2-thiazol-5-yl)amino]-1,1-difluoropropan-2-ol
CID 105649948
5-N-[2-(2,2-difluoroethoxy)ethyl]-1,2-thiazole-3,5-diamine
CID 105923643
3-[(3-Amino-1,2-thiazol-5-yl)amino]-2,2-difluoropropan-1-ol
CID 106174725
2-[(3-Amino-1,2-thiazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107495535

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-1,2-thiazol-5-yl)-(2,2-difluoroethyl)amino]ethanol?
The IUPAC name of 2-[(3-amino-1,2-thiazol-5-yl)-(2,2-difluoroethyl)amino]ethanol (CID 107495513) is 2-[(3-amino-1,2-thiazol-5-yl)-(2,2-difluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[(3-amino-1,2-thiazol-5-yl)-(2,2-difluoroethyl)amino]ethanol?
The canonical SMILES for 2-[(3-amino-1,2-thiazol-5-yl)-(2,2-difluoroethyl)amino]ethanol is Nc1cc(N(CCO)CC(F)F)sn1.
What is the InChIKey of 2-[(3-amino-1,2-thiazol-5-yl)-(2,2-difluoroethyl)amino]ethanol?
The InChIKey is IDYFUGOARWJYMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2N3OS/c8-5(9)4-12(1-2-13)7-3-6(10)11-14-7/h3,5,13H,1-2,4H2,(H2,10,11).
What are the key properties of 2-[(3-amino-1,2-thiazol-5-yl)-(2,2-difluoroethyl)amino]ethanol?
2-[(3-amino-1,2-thiazol-5-yl)-(2,2-difluoroethyl)amino]ethanol has a molecular weight of 223.25 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-1,2-thiazol-5-yl)-(2,2-difluoroethyl)amino]ethanol is sourced from PubChem (CID 107495513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).