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

C11H11ClFN3OS — CID 133430856

IUPAC1-(4-chloro-3-fluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethanol
SMILESCc1nnc(NCC(O)c2ccc(Cl)c(F)c2)s1
InChIInChI=1S/C11H11ClFN3OS/c1-6-15-16-11(18-6)14-5-10(17)7-2-3-8(12)9(13)4-7/h2-4,10,17H,5H2,1H3,(H,14,16)
InChIKeyNLUHWCSRDQKKDJ-UHFFFAOYSA-N
MW287.75 g/mol
LogP2.78
Rot. Bonds4

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

1-(4-chloro-3-fluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethanol (PubChem CID 133430856) has the molecular formula C11H11ClFN3OS and a molecular weight of 287.75 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethanol.

Molecular Properties

Compound Name1-(4-chloro-3-fluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethanol
PubChem CID133430856
Molecular FormulaC11H11ClFN3OS
Molecular Weight287.75 g/mol
Exact Mass287.03
IUPAC Name1-(4-chloro-3-fluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethanol
SMILESCc1nnc(NCC(O)c2ccc(Cl)c(F)c2)s1
InChIInChI=1S/C11H11ClFN3OS/c1-6-15-16-11(18-6)14-5-10(17)7-2-3-8(12)9(13)4-7/h2-4,10,17H,5H2,1H3,(H,14,16)
InChIKeyNLUHWCSRDQKKDJ-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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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethanol?
The IUPAC name of 1-(4-chloro-3-fluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethanol (CID 133430856) is 1-(4-chloro-3-fluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethanol.
What is the SMILES notation for 1-(4-chloro-3-fluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethanol?
The canonical SMILES for 1-(4-chloro-3-fluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethanol is Cc1nnc(NCC(O)c2ccc(Cl)c(F)c2)s1.
What is the InChIKey of 1-(4-chloro-3-fluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethanol?
The InChIKey is NLUHWCSRDQKKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFN3OS/c1-6-15-16-11(18-6)14-5-10(17)7-2-3-8(12)9(13)4-7/h2-4,10,17H,5H2,1H3,(H,14,16).
What are the key properties of 1-(4-chloro-3-fluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethanol?
1-(4-chloro-3-fluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-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-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethanol is sourced from PubChem (CID 133430856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).