2,2,2-trifluoro-1-(5-propyl-1,3,4-thiadiazol-2-yl)ethanol

C7H9F3N2OS — CID 123978809

IUPAC2,2,2-trifluoro-1-(5-propyl-1,3,4-thiadiazol-2-yl)ethanol
SMILESCCCc1nnc(C(O)C(F)(F)F)s1
InChIInChI=1S/C7H9F3N2OS/c1-2-3-4-11-12-6(14-4)5(13)7(8,9)10/h5,13H,2-3H2,1H3
InChIKeyYWPKHNBIDVHVFU-UHFFFAOYSA-N
MW226.22 g/mol
LogP2.09
Rot. Bonds3

About 2,2,2-trifluoro-1-(5-propyl-1,3,4-thiadiazol-2-yl)ethanol

2,2,2-trifluoro-1-(5-propyl-1,3,4-thiadiazol-2-yl)ethanol (PubChem CID 123978809) has the molecular formula C7H9F3N2OS and a molecular weight of 226.22 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(5-propyl-1,3,4-thiadiazol-2-yl)ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(5-propyl-1,3,4-thiadiazol-2-yl)ethanol
PubChem CID123978809
Molecular FormulaC7H9F3N2OS
Molecular Weight226.22 g/mol
Exact Mass226.04
IUPAC Name2,2,2-trifluoro-1-(5-propyl-1,3,4-thiadiazol-2-yl)ethanol
SMILESCCCc1nnc(C(O)C(F)(F)F)s1
InChIInChI=1S/C7H9F3N2OS/c1-2-3-4-11-12-6(14-4)5(13)7(8,9)10/h5,13H,2-3H2,1H3
InChIKeyYWPKHNBIDVHVFU-UHFFFAOYSA-N
XLogP2.09
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.22
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,3,4-Thiadiazole-2-methanol, 5-ethyl-
CID 102537415
[5-(1,1,1-Trifluoropropan-2-yloxy)-1,3,4-thiadiazol-2-yl]methanol
CID 80619865
(2R)-3-[(5-ethyl-1,3,4-thiadiazol-2-yl)methylsulfanyl]-1,1,1-trifluoropropan-2-ol
CID 99792974
(2S)-3-[(5-ethyl-1,3,4-thiadiazol-2-yl)methylsulfanyl]-1,1,1-trifluoropropan-2-ol
CID 99792975
3-[(5-Ethyl-1,3,4-thiadiazol-2-yl)methylsulfanyl]-1,1,1-trifluoropropan-2-ol
CID 102562643
[5-(Difluoromethyl)-1,3,4-thiadiazol-2-yl]methanol
CID 125450224
(1R)-1-(5-ethyl-1,3,4-thiadiazol-2-yl)ethanol
CID 126541258
1-(5-Methyl-1,3,4-thiadiazol-2-yl)ethan-1-ol
CID 131543122
(1R)-1-(5-methyl-1,3,4-thiadiazol-2-yl)ethanol
CID 134555967
(1S)-1-(5-ethyl-1,3,4-thiadiazol-2-yl)ethanol
CID 139568646
1-[5-(2-Methylpropyl)-1,3,4-thiadiazol-2-yl]ethanol
CID 169950682
1-(5-Methyl-1,3,4-thiadiazol-2-yl)propan-2-ol
CID 65208576

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(5-propyl-1,3,4-thiadiazol-2-yl)ethanol?
The IUPAC name of 2,2,2-trifluoro-1-(5-propyl-1,3,4-thiadiazol-2-yl)ethanol (CID 123978809) is 2,2,2-trifluoro-1-(5-propyl-1,3,4-thiadiazol-2-yl)ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-(5-propyl-1,3,4-thiadiazol-2-yl)ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-(5-propyl-1,3,4-thiadiazol-2-yl)ethanol is CCCc1nnc(C(O)C(F)(F)F)s1.
What is the InChIKey of 2,2,2-trifluoro-1-(5-propyl-1,3,4-thiadiazol-2-yl)ethanol?
The InChIKey is YWPKHNBIDVHVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2OS/c1-2-3-4-11-12-6(14-4)5(13)7(8,9)10/h5,13H,2-3H2,1H3.
What are the key properties of 2,2,2-trifluoro-1-(5-propyl-1,3,4-thiadiazol-2-yl)ethanol?
2,2,2-trifluoro-1-(5-propyl-1,3,4-thiadiazol-2-yl)ethanol has a molecular weight of 226.22 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(5-propyl-1,3,4-thiadiazol-2-yl)ethanol is sourced from PubChem (CID 123978809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).