3-(3-chloro-4-fluorophenyl)-N-propyl-1,2,4-thiadiazol-5-amine

C11H11ClFN3S — CID 65268814

IUPAC3-(3-chloro-4-fluorophenyl)-N-propyl-1,2,4-thiadiazol-5-amine
SMILESCCCNc1nc(-c2ccc(F)c(Cl)c2)ns1
InChIInChI=1S/C11H11ClFN3S/c1-2-5-14-11-15-10(16-17-11)7-3-4-9(13)8(12)6-7/h3-4,6H,2,5H2,1H3,(H,14,15,16)
InChIKeyWNWJUIXKGIFLKC-UHFFFAOYSA-N
MW271.75 g/mol
LogP3.82
Rot. Bonds4

About 3-(3-chloro-4-fluorophenyl)-N-propyl-1,2,4-thiadiazol-5-amine

3-(3-chloro-4-fluorophenyl)-N-propyl-1,2,4-thiadiazol-5-amine (PubChem CID 65268814) has the molecular formula C11H11ClFN3S and a molecular weight of 271.75 g/mol. Its IUPAC name is 3-(3-chloro-4-fluorophenyl)-N-propyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(3-chloro-4-fluorophenyl)-N-propyl-1,2,4-thiadiazol-5-amine
PubChem CID65268814
Molecular FormulaC11H11ClFN3S
Molecular Weight271.75 g/mol
Exact Mass271.03
IUPAC Name3-(3-chloro-4-fluorophenyl)-N-propyl-1,2,4-thiadiazol-5-amine
SMILESCCCNc1nc(-c2ccc(F)c(Cl)c2)ns1
InChIInChI=1S/C11H11ClFN3S/c1-2-5-14-11-15-10(16-17-11)7-3-4-9(13)8(12)6-7/h3-4,6H,2,5H2,1H3,(H,14,15,16)
InChIKeyWNWJUIXKGIFLKC-UHFFFAOYSA-N
XLogP3.82
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-fluorophenyl)-N-propyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(3-chloro-4-fluorophenyl)-N-propyl-1,2,4-thiadiazol-5-amine (CID 65268814) is 3-(3-chloro-4-fluorophenyl)-N-propyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(3-chloro-4-fluorophenyl)-N-propyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(3-chloro-4-fluorophenyl)-N-propyl-1,2,4-thiadiazol-5-amine is CCCNc1nc(-c2ccc(F)c(Cl)c2)ns1.
What is the InChIKey of 3-(3-chloro-4-fluorophenyl)-N-propyl-1,2,4-thiadiazol-5-amine?
The InChIKey is WNWJUIXKGIFLKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFN3S/c1-2-5-14-11-15-10(16-17-11)7-3-4-9(13)8(12)6-7/h3-4,6H,2,5H2,1H3,(H,14,15,16).
What are the key properties of 3-(3-chloro-4-fluorophenyl)-N-propyl-1,2,4-thiadiazol-5-amine?
3-(3-chloro-4-fluorophenyl)-N-propyl-1,2,4-thiadiazol-5-amine has a molecular weight of 271.75 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-fluorophenyl)-N-propyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65268814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).