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

C11H11ClFN3OS — CID 133430857

IUPAC1-(4-chloro-3-fluorophenyl)-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanol
SMILESCc1nsc(NCC(O)c2ccc(Cl)c(F)c2)n1
InChIInChI=1S/C11H11ClFN3OS/c1-6-15-11(18-16-6)14-5-10(17)7-2-3-8(12)9(13)4-7/h2-4,10,17H,5H2,1H3,(H,14,15,16)
InChIKeySHJJLPFHXWZEOR-UHFFFAOYSA-N
MW287.75 g/mol
LogP2.78
Rot. Bonds4

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

1-(4-chloro-3-fluorophenyl)-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanol (PubChem CID 133430857) has the molecular formula C11H11ClFN3OS and a molecular weight of 287.75 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenyl)-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanol.

Molecular Properties

Compound Name1-(4-chloro-3-fluorophenyl)-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanol
PubChem CID133430857
Molecular FormulaC11H11ClFN3OS
Molecular Weight287.75 g/mol
Exact Mass287.03
IUPAC Name1-(4-chloro-3-fluorophenyl)-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanol
SMILESCc1nsc(NCC(O)c2ccc(Cl)c(F)c2)n1
InChIInChI=1S/C11H11ClFN3OS/c1-6-15-11(18-16-6)14-5-10(17)7-2-3-8(12)9(13)4-7/h2-4,10,17H,5H2,1H3,(H,14,15,16)
InChIKeySHJJLPFHXWZEOR-UHFFFAOYSA-N
XLogP2.78
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chloro-3-fluorophenyl)-2-[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
CID 133430861
1-(4-chloro-3-fluorophenyl)-2-[(4-methylpyrimidin-2-yl)amino]ethanol
CID 133411967
1-(4-chloro-3-fluorophenyl)-2-(methylamino)ethanol
CID 62773520
1-(4-chloro-3-fluorophenyl)-2-[(6-fluoro-2-pyridinyl)amino]ethanol
CID 133411980
2-[[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]amino]-1,3-thiazole-5-sulfonamide
CID 133430912
1-(4-chloro-3-fluorophenyl)-2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
CID 133430923
(1S)-1-(4-chloro-3-fluorophenyl)ethane-1,2-diol
CID 97286939
2-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]-1-(4-chloro-3-fluorophenyl)ethanol
CID 133430921
1-(4-chloro-3-fluorophenyl)-2-(2-methyl-4-nitroanilino)ethanol
CID 133430931
1-(4-chloro-3-fluorophenyl)-2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethanol
CID 133412013
(1S)-1-(4-chloro-3-fluorophenyl)propane-1,3-diol
CID 86696659
1-(4-chlorophenyl)-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propane-1,3-diol
CID 126837794

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluorophenyl)-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanol?
The IUPAC name of 1-(4-chloro-3-fluorophenyl)-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanol (CID 133430857) is 1-(4-chloro-3-fluorophenyl)-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanol.
What is the SMILES notation for 1-(4-chloro-3-fluorophenyl)-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanol?
The canonical SMILES for 1-(4-chloro-3-fluorophenyl)-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanol is Cc1nsc(NCC(O)c2ccc(Cl)c(F)c2)n1.
What is the InChIKey of 1-(4-chloro-3-fluorophenyl)-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanol?
The InChIKey is SHJJLPFHXWZEOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFN3OS/c1-6-15-11(18-16-6)14-5-10(17)7-2-3-8(12)9(13)4-7/h2-4,10,17H,5H2,1H3,(H,14,15,16).
What are the key properties of 1-(4-chloro-3-fluorophenyl)-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanol?
1-(4-chloro-3-fluorophenyl)-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanol has a molecular weight of 287.75 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-fluorophenyl)-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanol is sourced from PubChem (CID 133430857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).