2-[2,2-difluoroethyl-(3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-yl)amino]ethanol

C10H12F2N4OS — CID 114203332

IUPAC2-[2,2-difluoroethyl-(3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-yl)amino]ethanol
SMILESCc1nsc2ncnc(N(CCO)CC(F)F)c12
InChIInChI=1S/C10H12F2N4OS/c1-6-8-9(13-5-14-10(8)18-15-6)16(2-3-17)4-7(11)12/h5,7,17H,2-4H2,1H3
InChIKeyHXKLHBPAXPTAGD-UHFFFAOYSA-N
MW274.30 g/mol
LogP1.46
Rot. Bonds5

About 2-[2,2-difluoroethyl-(3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-yl)amino]ethanol

2-[2,2-difluoroethyl-(3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-yl)amino]ethanol (PubChem CID 114203332) has the molecular formula C10H12F2N4OS and a molecular weight of 274.30 g/mol. Its IUPAC name is 2-[2,2-difluoroethyl-(3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-yl)amino]ethanol.

Molecular Properties

Compound Name2-[2,2-difluoroethyl-(3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-yl)amino]ethanol
PubChem CID114203332
Molecular FormulaC10H12F2N4OS
Molecular Weight274.30 g/mol
Exact Mass274.07
IUPAC Name2-[2,2-difluoroethyl-(3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-yl)amino]ethanol
SMILESCc1nsc2ncnc(N(CCO)CC(F)F)c12
InChIInChI=1S/C10H12F2N4OS/c1-6-8-9(13-5-14-10(8)18-15-6)16(2-3-17)4-7(11)12/h5,7,17H,2-4H2,1H3
InChIKeyHXKLHBPAXPTAGD-UHFFFAOYSA-N
XLogP1.46
TPSA62.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-bromoethyl)-N-butyl-3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-amine
CID 114203373
2-[(6-amino-5-propan-2-ylpyrimidin-4-yl)-(2,2-difluoroethyl)amino]ethanol
CID 107495177
2-[(5-amino-3-methyl-2-pyridinyl)-(2,2-difluoroethyl)amino]ethanol
CID 107478248
2-[2,2-difluoroethyl-[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]ethanol
CID 107495178
methyl 4-[2,2-difluoroethyl(2-hydroxyethyl)amino]pyrimidine-5-carboxylate
CID 114214746
2-[2,2-difluoroethyl-[3-(hydroxymethyl)-2-pyridinyl]amino]ethanol
CID 107484642
N'-cyclopropyl-N'-(3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-yl)ethane-1,2-diamine
CID 114203402
N-(2-chloroethyl)-N-cyclobutyl-3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-amine
CID 114203385
3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-methylpyrazin-2-one
CID 107484278
2-[(5-chloropyrimidin-2-yl)-(2,2-difluoroethyl)amino]ethanol
CID 107484163
2-[[3-(aminomethyl)-2-pyridinyl]-(2,2-difluoroethyl)amino]ethanol
CID 107478427
N-(2,2-difluoroethyl)-6-ethyl-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 133279433

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-difluoroethyl-(3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-yl)amino]ethanol?
The IUPAC name of 2-[2,2-difluoroethyl-(3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-yl)amino]ethanol (CID 114203332) is 2-[2,2-difluoroethyl-(3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-yl)amino]ethanol.
What is the SMILES notation for 2-[2,2-difluoroethyl-(3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-yl)amino]ethanol?
The canonical SMILES for 2-[2,2-difluoroethyl-(3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-yl)amino]ethanol is Cc1nsc2ncnc(N(CCO)CC(F)F)c12.
What is the InChIKey of 2-[2,2-difluoroethyl-(3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-yl)amino]ethanol?
The InChIKey is HXKLHBPAXPTAGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N4OS/c1-6-8-9(13-5-14-10(8)18-15-6)16(2-3-17)4-7(11)12/h5,7,17H,2-4H2,1H3.
What are the key properties of 2-[2,2-difluoroethyl-(3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-yl)amino]ethanol?
2-[2,2-difluoroethyl-(3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-yl)amino]ethanol has a molecular weight of 274.30 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-difluoroethyl-(3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-yl)amino]ethanol is sourced from PubChem (CID 114203332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).