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

C8H3ClF3N3S — CID 62813440

IUPAC4-chloro-N-(2,3,5-trifluorophenyl)-1,2,5-thiadiazol-3-amine
SMILESFc1cc(F)c(F)c(Nc2nsnc2Cl)c1
InChIInChI=1S/C8H3ClF3N3S/c9-7-8(15-16-14-7)13-5-2-3(10)1-4(11)6(5)12/h1-2H,(H,13,15)
InChIKeyWSTNSLXDSNGNKI-UHFFFAOYSA-N
MW265.65 g/mol
LogP3.35
Rot. Bonds2

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

4-chloro-N-(2,3,5-trifluorophenyl)-1,2,5-thiadiazol-3-amine (PubChem CID 62813440) has the molecular formula C8H3ClF3N3S and a molecular weight of 265.65 g/mol. Its IUPAC name is 4-chloro-N-(2,3,5-trifluorophenyl)-1,2,5-thiadiazol-3-amine.

Molecular Properties

Compound Name4-chloro-N-(2,3,5-trifluorophenyl)-1,2,5-thiadiazol-3-amine
PubChem CID62813440
Molecular FormulaC8H3ClF3N3S
Molecular Weight265.65 g/mol
Exact Mass264.97
IUPAC Name4-chloro-N-(2,3,5-trifluorophenyl)-1,2,5-thiadiazol-3-amine
SMILESFc1cc(F)c(F)c(Nc2nsnc2Cl)c1
InChIInChI=1S/C8H3ClF3N3S/c9-7-8(15-16-14-7)13-5-2-3(10)1-4(11)6(5)12/h1-2H,(H,13,15)
InChIKeyWSTNSLXDSNGNKI-UHFFFAOYSA-N
XLogP3.35
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.65
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,3,5-trifluorophenyl)-1,2,5-thiadiazol-3-amine?
The IUPAC name of 4-chloro-N-(2,3,5-trifluorophenyl)-1,2,5-thiadiazol-3-amine (CID 62813440) is 4-chloro-N-(2,3,5-trifluorophenyl)-1,2,5-thiadiazol-3-amine.
What is the SMILES notation for 4-chloro-N-(2,3,5-trifluorophenyl)-1,2,5-thiadiazol-3-amine?
The canonical SMILES for 4-chloro-N-(2,3,5-trifluorophenyl)-1,2,5-thiadiazol-3-amine is Fc1cc(F)c(F)c(Nc2nsnc2Cl)c1.
What is the InChIKey of 4-chloro-N-(2,3,5-trifluorophenyl)-1,2,5-thiadiazol-3-amine?
The InChIKey is WSTNSLXDSNGNKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3ClF3N3S/c9-7-8(15-16-14-7)13-5-2-3(10)1-4(11)6(5)12/h1-2H,(H,13,15).
What are the key properties of 4-chloro-N-(2,3,5-trifluorophenyl)-1,2,5-thiadiazol-3-amine?
4-chloro-N-(2,3,5-trifluorophenyl)-1,2,5-thiadiazol-3-amine has a molecular weight of 265.65 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2,3,5-trifluorophenyl)-1,2,5-thiadiazol-3-amine is sourced from PubChem (CID 62813440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).