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

C9H7ClFN3S — CID 115504746

IUPAC4-(3-chloro-5-fluorophenyl)-N-methyl-1,2,5-thiadiazol-3-amine
SMILESCNc1nsnc1-c1cc(F)cc(Cl)c1
InChIInChI=1S/C9H7ClFN3S/c1-12-9-8(13-15-14-9)5-2-6(10)4-7(11)3-5/h2-4H,1H3,(H,12,14)
InChIKeyOEOAHUCMMAHCCB-UHFFFAOYSA-N
MW243.69 g/mol
LogP3.04
Rot. Bonds2

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

4-(3-chloro-5-fluorophenyl)-N-methyl-1,2,5-thiadiazol-3-amine (PubChem CID 115504746) has the molecular formula C9H7ClFN3S and a molecular weight of 243.69 g/mol. Its IUPAC name is 4-(3-chloro-5-fluorophenyl)-N-methyl-1,2,5-thiadiazol-3-amine.

Molecular Properties

Compound Name4-(3-chloro-5-fluorophenyl)-N-methyl-1,2,5-thiadiazol-3-amine
PubChem CID115504746
Molecular FormulaC9H7ClFN3S
Molecular Weight243.69 g/mol
Exact Mass243.00
IUPAC Name4-(3-chloro-5-fluorophenyl)-N-methyl-1,2,5-thiadiazol-3-amine
SMILESCNc1nsnc1-c1cc(F)cc(Cl)c1
InChIInChI=1S/C9H7ClFN3S/c1-12-9-8(13-15-14-9)5-2-6(10)4-7(11)3-5/h2-4H,1H3,(H,12,14)
InChIKeyOEOAHUCMMAHCCB-UHFFFAOYSA-N
XLogP3.04
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-5-fluorophenyl)-N-methyl-1,2,5-thiadiazol-3-amine?
The IUPAC name of 4-(3-chloro-5-fluorophenyl)-N-methyl-1,2,5-thiadiazol-3-amine (CID 115504746) is 4-(3-chloro-5-fluorophenyl)-N-methyl-1,2,5-thiadiazol-3-amine.
What is the SMILES notation for 4-(3-chloro-5-fluorophenyl)-N-methyl-1,2,5-thiadiazol-3-amine?
The canonical SMILES for 4-(3-chloro-5-fluorophenyl)-N-methyl-1,2,5-thiadiazol-3-amine is CNc1nsnc1-c1cc(F)cc(Cl)c1.
What is the InChIKey of 4-(3-chloro-5-fluorophenyl)-N-methyl-1,2,5-thiadiazol-3-amine?
The InChIKey is OEOAHUCMMAHCCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClFN3S/c1-12-9-8(13-15-14-9)5-2-6(10)4-7(11)3-5/h2-4H,1H3,(H,12,14).
What are the key properties of 4-(3-chloro-5-fluorophenyl)-N-methyl-1,2,5-thiadiazol-3-amine?
4-(3-chloro-5-fluorophenyl)-N-methyl-1,2,5-thiadiazol-3-amine has a molecular weight of 243.69 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-5-fluorophenyl)-N-methyl-1,2,5-thiadiazol-3-amine is sourced from PubChem (CID 115504746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).