1-(2-fluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethanol

C11H12FN3OS — CID 133351558

IUPAC1-(2-fluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethanol
SMILESCc1nnc(NCC(O)c2ccccc2F)s1
InChIInChI=1S/C11H12FN3OS/c1-7-14-15-11(17-7)13-6-10(16)8-4-2-3-5-9(8)12/h2-5,10,16H,6H2,1H3,(H,13,15)
InChIKeyCVKBKTZRLWGHRA-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.13
Rot. Bonds4

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

1-(2-fluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethanol (PubChem CID 133351558) has the molecular formula C11H12FN3OS and a molecular weight of 253.30 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethanol.

Molecular Properties

Compound Name1-(2-fluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethanol
PubChem CID133351558
Molecular FormulaC11H12FN3OS
Molecular Weight253.30 g/mol
Exact Mass253.07
IUPAC Name1-(2-fluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethanol
SMILESCc1nnc(NCC(O)c2ccccc2F)s1
InChIInChI=1S/C11H12FN3OS/c1-7-14-15-11(17-7)13-6-10(16)8-4-2-3-5-9(8)12/h2-5,10,16H,6H2,1H3,(H,13,15)
InChIKeyCVKBKTZRLWGHRA-UHFFFAOYSA-N
XLogP2.13
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethanol?
The IUPAC name of 1-(2-fluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethanol (CID 133351558) is 1-(2-fluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethanol.
What is the SMILES notation for 1-(2-fluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethanol?
The canonical SMILES for 1-(2-fluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethanol is Cc1nnc(NCC(O)c2ccccc2F)s1.
What is the InChIKey of 1-(2-fluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethanol?
The InChIKey is CVKBKTZRLWGHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3OS/c1-7-14-15-11(17-7)13-6-10(16)8-4-2-3-5-9(8)12/h2-5,10,16H,6H2,1H3,(H,13,15).
What are the key properties of 1-(2-fluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethanol?
1-(2-fluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethanol has a molecular weight of 253.30 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethanol is sourced from PubChem (CID 133351558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).