1-(3,5-difluorophenyl)-3-(1,3,4-thiadiazol-2-ylamino)butan-2-ol

C12H13F2N3OS — CID 143107482

IUPAC1-(3,5-difluorophenyl)-3-(1,3,4-thiadiazol-2-ylamino)butan-2-ol
SMILESCC(Nc1nncs1)C(O)Cc1cc(F)cc(F)c1
InChIInChI=1S/C12H13F2N3OS/c1-7(16-12-17-15-6-19-12)11(18)4-8-2-9(13)5-10(14)3-8/h2-3,5-7,11,18H,4H2,1H3,(H,16,17)
InChIKeyWKSKHDKSICHYGN-UHFFFAOYSA-N
MW285.32 g/mol
LogP2.22
Rot. Bonds5

About 1-(3,5-difluorophenyl)-3-(1,3,4-thiadiazol-2-ylamino)butan-2-ol

1-(3,5-difluorophenyl)-3-(1,3,4-thiadiazol-2-ylamino)butan-2-ol (PubChem CID 143107482) has the molecular formula C12H13F2N3OS and a molecular weight of 285.32 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-3-(1,3,4-thiadiazol-2-ylamino)butan-2-ol.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-3-(1,3,4-thiadiazol-2-ylamino)butan-2-ol
PubChem CID143107482
Molecular FormulaC12H13F2N3OS
Molecular Weight285.32 g/mol
Exact Mass285.07
IUPAC Name1-(3,5-difluorophenyl)-3-(1,3,4-thiadiazol-2-ylamino)butan-2-ol
SMILESCC(Nc1nncs1)C(O)Cc1cc(F)cc(F)c1
InChIInChI=1S/C12H13F2N3OS/c1-7(16-12-17-15-6-19-12)11(18)4-8-2-9(13)5-10(14)3-8/h2-3,5-7,11,18H,4H2,1H3,(H,16,17)
InChIKeyWKSKHDKSICHYGN-UHFFFAOYSA-N
XLogP2.22
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(3,5-difluorophenyl)-3-(1,3,4-thiadiazol-2-ylamino)butan-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-(3,5-Difluorophenyl)-3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]butan-2-ol
CID 143107534
1-(3,5-Difluorophenyl)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]butan-2-ol
CID 143107600
1-[2-(2-Fluorophenyl)-2-hydroxyethyl]-3-(1,3,4-thiadiazol-2-yl)urea
CID 45820074
1-[2-(2,4-Difluorophenyl)-2-hydroxyethyl]-3-(1,3,4-thiadiazol-2-yl)urea
CID 45820075
1-[2-(3,4-Difluorophenyl)-2-hydroxyethyl]-3-(1,3,4-thiadiazol-2-yl)urea
CID 45820077
1-[1-(4-Fluorophenyl)-1-hydroxypropan-2-yl]-3-(1,3,4-thiadiazol-2-yl)urea
CID 60299294
1-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-(1,3,4-thiadiazol-2-yl)urea
CID 93946347
1-[(2R)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-(1,3,4-thiadiazol-2-yl)urea
CID 93946348
1-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]-3-(1,3,4-thiadiazol-2-yl)urea
CID 94024662
1-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]-3-(1,3,4-thiadiazol-2-yl)urea
CID 94024663
3-Phenyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]propan-1-ol
CID 114448259
3-Phenyl-1-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]butan-2-ol
CID 145907069

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-3-(1,3,4-thiadiazol-2-ylamino)butan-2-ol?
The IUPAC name of 1-(3,5-difluorophenyl)-3-(1,3,4-thiadiazol-2-ylamino)butan-2-ol (CID 143107482) is 1-(3,5-difluorophenyl)-3-(1,3,4-thiadiazol-2-ylamino)butan-2-ol.
What is the SMILES notation for 1-(3,5-difluorophenyl)-3-(1,3,4-thiadiazol-2-ylamino)butan-2-ol?
The canonical SMILES for 1-(3,5-difluorophenyl)-3-(1,3,4-thiadiazol-2-ylamino)butan-2-ol is CC(Nc1nncs1)C(O)Cc1cc(F)cc(F)c1.
What is the InChIKey of 1-(3,5-difluorophenyl)-3-(1,3,4-thiadiazol-2-ylamino)butan-2-ol?
The InChIKey is WKSKHDKSICHYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N3OS/c1-7(16-12-17-15-6-19-12)11(18)4-8-2-9(13)5-10(14)3-8/h2-3,5-7,11,18H,4H2,1H3,(H,16,17).
What are the key properties of 1-(3,5-difluorophenyl)-3-(1,3,4-thiadiazol-2-ylamino)butan-2-ol?
1-(3,5-difluorophenyl)-3-(1,3,4-thiadiazol-2-ylamino)butan-2-ol has a molecular weight of 285.32 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-3-(1,3,4-thiadiazol-2-ylamino)butan-2-ol is sourced from PubChem (CID 143107482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).