2-(furan-2-yl)-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethanol

C9H8F3N3O2S — CID 133491943

IUPAC2-(furan-2-yl)-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethanol
SMILESOCC(Nc1nnc(C(F)(F)F)s1)c1ccco1
InChIInChI=1S/C9H8F3N3O2S/c10-9(11,12)7-14-15-8(18-7)13-5(4-16)6-2-1-3-17-6/h1-3,5,16H,4H2,(H,13,15)
InChIKeyGNRQWASWZDYCBZ-UHFFFAOYSA-N
MW279.24 g/mol
LogP2.30
Rot. Bonds4

About 2-(furan-2-yl)-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethanol

2-(furan-2-yl)-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethanol (PubChem CID 133491943) has the molecular formula C9H8F3N3O2S and a molecular weight of 279.24 g/mol. Its IUPAC name is 2-(furan-2-yl)-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-(furan-2-yl)-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethanol
PubChem CID133491943
Molecular FormulaC9H8F3N3O2S
Molecular Weight279.24 g/mol
Exact Mass279.03
IUPAC Name2-(furan-2-yl)-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethanol
SMILESOCC(Nc1nnc(C(F)(F)F)s1)c1ccco1
InChIInChI=1S/C9H8F3N3O2S/c10-9(11,12)7-14-15-8(18-7)13-5(4-16)6-2-1-3-17-6/h1-3,5,16H,4H2,(H,13,15)
InChIKeyGNRQWASWZDYCBZ-UHFFFAOYSA-N
XLogP2.30
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.24
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(furan-2-yl)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]propan-1-ol
CID 133490778
N-[4-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]carbamoyl]phenyl]furan-2-carboxamide
CID 38782851
3-anilino-3-(furan-2-yl)propan-1-ol
CID 83821736
2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-phenylethanol
CID 64982613
tert-butyl-[[(1S)-1-(furan-2-yl)-2-hydroxyethyl]amino]-oxidosulfanium
CID 174107664
(3R)-3-methyl-4-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]butan-1-ol
CID 99700531
N-(1-methylsulfanylpropan-2-yl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 114448589
N'-[1-(furan-2-yl)-2-hydroxyethyl]-N-[4-(trifluoromethyl)phenyl]oxamide
CID 111799149
2-phenylsulfanyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 542592
N-[1-(3-fluorophenyl)ethyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 114448109
2-methyl-3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]butanoic acid
CID 114449470
(2S)-2-[(6-tert-butylsulfonyl-3-pyridinyl)amino]-2-(furan-2-yl)ethanol
CID 97224225

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethanol?
The IUPAC name of 2-(furan-2-yl)-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethanol (CID 133491943) is 2-(furan-2-yl)-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethanol.
What is the SMILES notation for 2-(furan-2-yl)-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethanol?
The canonical SMILES for 2-(furan-2-yl)-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethanol is OCC(Nc1nnc(C(F)(F)F)s1)c1ccco1.
What is the InChIKey of 2-(furan-2-yl)-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethanol?
The InChIKey is GNRQWASWZDYCBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N3O2S/c10-9(11,12)7-14-15-8(18-7)13-5(4-16)6-2-1-3-17-6/h1-3,5,16H,4H2,(H,13,15).
What are the key properties of 2-(furan-2-yl)-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethanol?
2-(furan-2-yl)-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethanol has a molecular weight of 279.24 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethanol is sourced from PubChem (CID 133491943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).