[2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-5-fluorophenyl]methanol

C11H12FN3OS2 — CID 63814008

IUPAC[2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-5-fluorophenyl]methanol
SMILESCN(C)c1nnc(Sc2ccc(F)cc2CO)s1
InChIInChI=1S/C11H12FN3OS2/c1-15(2)10-13-14-11(18-10)17-9-4-3-8(12)5-7(9)6-16/h3-5,16H,6H2,1-2H3
InChIKeyDQHYXKIJOYDTHU-UHFFFAOYSA-N
MW285.37 g/mol
LogP2.39
Rot. Bonds4

About [2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-5-fluorophenyl]methanol

[2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-5-fluorophenyl]methanol (PubChem CID 63814008) has the molecular formula C11H12FN3OS2 and a molecular weight of 285.37 g/mol. Its IUPAC name is [2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-5-fluorophenyl]methanol.

Molecular Properties

Compound Name[2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-5-fluorophenyl]methanol
PubChem CID63814008
Molecular FormulaC11H12FN3OS2
Molecular Weight285.37 g/mol
Exact Mass285.04
IUPAC Name[2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-5-fluorophenyl]methanol
SMILESCN(C)c1nnc(Sc2ccc(F)cc2CO)s1
InChIInChI=1S/C11H12FN3OS2/c1-15(2)10-13-14-11(18-10)17-9-4-3-8(12)5-7(9)6-16/h3-5,16H,6H2,1-2H3
InChIKeyDQHYXKIJOYDTHU-UHFFFAOYSA-N
XLogP2.39
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-5-fluorophenyl]methanol with MolForge

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Related Compounds

5-[2-(aminomethyl)-4-fluorophenyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 63738353
5-[2-[(1S)-1-aminoethyl]-4-fluorophenyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 55243373
2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-4-fluorobenzonitrile
CID 103760325
[5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]thiophen-2-yl]methanol
CID 107365242
N-[[5-fluoro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]methyl]ethanamine
CID 63807872
5-[4-chloro-2-(propylaminomethyl)phenyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 114864204
[5-chloro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]methanol
CID 114865538
3-amino-4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]benzamide
CID 63737454
(1R)-1-[2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-6-fluorophenyl]ethanol
CID 63814167
N-[[5-fluoro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]methyl]-2-methylpropan-1-amine
CID 63808217
N-[[5-fluoro-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]methyl]-2-methylpropan-2-amine
CID 115383921
[6-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-pyridinyl]methanol
CID 80651531

Frequently Asked Questions

What is the IUPAC name of [2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-5-fluorophenyl]methanol?
The IUPAC name of [2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-5-fluorophenyl]methanol (CID 63814008) is [2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-5-fluorophenyl]methanol.
What is the SMILES notation for [2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-5-fluorophenyl]methanol?
The canonical SMILES for [2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-5-fluorophenyl]methanol is CN(C)c1nnc(Sc2ccc(F)cc2CO)s1.
What is the InChIKey of [2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-5-fluorophenyl]methanol?
The InChIKey is DQHYXKIJOYDTHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3OS2/c1-15(2)10-13-14-11(18-10)17-9-4-3-8(12)5-7(9)6-16/h3-5,16H,6H2,1-2H3.
What are the key properties of [2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-5-fluorophenyl]methanol?
[2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-5-fluorophenyl]methanol has a molecular weight of 285.37 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-5-fluorophenyl]methanol is sourced from PubChem (CID 63814008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).