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

C11H11ClFN3S — CID 113324928

IUPAC4-(2-chloro-4-fluorophenyl)-N-propyl-1,2,5-thiadiazol-3-amine
SMILESCCCNc1nsnc1-c1ccc(F)cc1Cl
InChIInChI=1S/C11H11ClFN3S/c1-2-5-14-11-10(15-17-16-11)8-4-3-7(13)6-9(8)12/h3-4,6H,2,5H2,1H3,(H,14,16)
InChIKeyMKPYWICZOZHKKM-UHFFFAOYSA-N
MW271.75 g/mol
LogP3.82
Rot. Bonds4

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

4-(2-chloro-4-fluorophenyl)-N-propyl-1,2,5-thiadiazol-3-amine (PubChem CID 113324928) has the molecular formula C11H11ClFN3S and a molecular weight of 271.75 g/mol. Its IUPAC name is 4-(2-chloro-4-fluorophenyl)-N-propyl-1,2,5-thiadiazol-3-amine.

Molecular Properties

Compound Name4-(2-chloro-4-fluorophenyl)-N-propyl-1,2,5-thiadiazol-3-amine
PubChem CID113324928
Molecular FormulaC11H11ClFN3S
Molecular Weight271.75 g/mol
Exact Mass271.03
IUPAC Name4-(2-chloro-4-fluorophenyl)-N-propyl-1,2,5-thiadiazol-3-amine
SMILESCCCNc1nsnc1-c1ccc(F)cc1Cl
InChIInChI=1S/C11H11ClFN3S/c1-2-5-14-11-10(15-17-16-11)8-4-3-7(13)6-9(8)12/h3-4,6H,2,5H2,1H3,(H,14,16)
InChIKeyMKPYWICZOZHKKM-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 4-(2-chloro-4-fluorophenyl)-N-propyl-1,2,5-thiadiazol-3-amine?
The IUPAC name of 4-(2-chloro-4-fluorophenyl)-N-propyl-1,2,5-thiadiazol-3-amine (CID 113324928) is 4-(2-chloro-4-fluorophenyl)-N-propyl-1,2,5-thiadiazol-3-amine.
What is the SMILES notation for 4-(2-chloro-4-fluorophenyl)-N-propyl-1,2,5-thiadiazol-3-amine?
The canonical SMILES for 4-(2-chloro-4-fluorophenyl)-N-propyl-1,2,5-thiadiazol-3-amine is CCCNc1nsnc1-c1ccc(F)cc1Cl.
What is the InChIKey of 4-(2-chloro-4-fluorophenyl)-N-propyl-1,2,5-thiadiazol-3-amine?
The InChIKey is MKPYWICZOZHKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFN3S/c1-2-5-14-11-10(15-17-16-11)8-4-3-7(13)6-9(8)12/h3-4,6H,2,5H2,1H3,(H,14,16).
What are the key properties of 4-(2-chloro-4-fluorophenyl)-N-propyl-1,2,5-thiadiazol-3-amine?
4-(2-chloro-4-fluorophenyl)-N-propyl-1,2,5-thiadiazol-3-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 4-(2-chloro-4-fluorophenyl)-N-propyl-1,2,5-thiadiazol-3-amine is sourced from PubChem (CID 113324928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).