1-(3-fluoro-5-methylanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol

C12H14FN3O2S — CID 79055249

IUPAC1-(3-fluoro-5-methylanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
SMILESCc1cc(F)cc(NCC(O)COc2cnsn2)c1
InChIInChI=1S/C12H14FN3O2S/c1-8-2-9(13)4-10(3-8)14-5-11(17)7-18-12-6-15-19-16-12/h2-4,6,11,14,17H,5,7H2,1H3
InChIKeyTZEBERALOARDSA-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.84
Rot. Bonds6

About 1-(3-fluoro-5-methylanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol

1-(3-fluoro-5-methylanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol (PubChem CID 79055249) has the molecular formula C12H14FN3O2S and a molecular weight of 283.33 g/mol. Its IUPAC name is 1-(3-fluoro-5-methylanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol.

Molecular Properties

Compound Name1-(3-fluoro-5-methylanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
PubChem CID79055249
Molecular FormulaC12H14FN3O2S
Molecular Weight283.33 g/mol
Exact Mass283.08
IUPAC Name1-(3-fluoro-5-methylanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
SMILESCc1cc(F)cc(NCC(O)COc2cnsn2)c1
InChIInChI=1S/C12H14FN3O2S/c1-8-2-9(13)4-10(3-8)14-5-11(17)7-18-12-6-15-19-16-12/h2-4,6,11,14,17H,5,7H2,1H3
InChIKeyTZEBERALOARDSA-UHFFFAOYSA-N
XLogP1.84
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(3-fluoro-5-methylanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-chloro-4-methylanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 60896301
1-(4-chloroanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 60898515
1-(4-bromo-2,6-dichloroanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 60899469
1-(4-bromophenoxy)-3-(3-fluoro-5-methylanilino)propan-2-ol
CID 79044447
1-(2,2-dimethylhydrazinyl)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 83014161
1-[(3-methylphenyl)methylamino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 54937990
1-(3-chloro-2-methylanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 60897095
1-(2-methoxyethylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 60904146
1-(2,5-dichloroanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 60898964
1-(1-methoxypropan-2-ylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 60898042
1-(2-cyclopropylpropan-2-ylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 104577999
2-[[2-hydroxy-3-(1,2,5-thiadiazol-3-yloxy)propyl]amino]-3-methylbutan-1-ol
CID 79249568

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-5-methylanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol?
The IUPAC name of 1-(3-fluoro-5-methylanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol (CID 79055249) is 1-(3-fluoro-5-methylanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol.
What is the SMILES notation for 1-(3-fluoro-5-methylanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol?
The canonical SMILES for 1-(3-fluoro-5-methylanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol is Cc1cc(F)cc(NCC(O)COc2cnsn2)c1.
What is the InChIKey of 1-(3-fluoro-5-methylanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol?
The InChIKey is TZEBERALOARDSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O2S/c1-8-2-9(13)4-10(3-8)14-5-11(17)7-18-12-6-15-19-16-12/h2-4,6,11,14,17H,5,7H2,1H3.
What are the key properties of 1-(3-fluoro-5-methylanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol?
1-(3-fluoro-5-methylanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol has a molecular weight of 283.33 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-5-methylanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol is sourced from PubChem (CID 79055249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).