N-(5-chloro-2,4-difluorophenyl)sulfanyl-1,2,4-thiadiazol-5-amine

C8H4ClF2N3S2 — CID 145181882

IUPACN-(5-chloro-2,4-difluorophenyl)sulfanyl-1,2,4-thiadiazol-5-amine
SMILESFc1cc(F)c(SNc2ncns2)cc1Cl
InChIInChI=1S/C8H4ClF2N3S2/c9-4-1-7(6(11)2-5(4)10)15-14-8-12-3-13-16-8/h1-3H,(H,12,13,14)
InChIKeyYHATVTDVICWUQR-UHFFFAOYSA-N
MW279.72 g/mol
LogP3.59
Rot. Bonds3

About N-(5-chloro-2,4-difluorophenyl)sulfanyl-1,2,4-thiadiazol-5-amine

N-(5-chloro-2,4-difluorophenyl)sulfanyl-1,2,4-thiadiazol-5-amine (PubChem CID 145181882) has the molecular formula C8H4ClF2N3S2 and a molecular weight of 279.72 g/mol. Its IUPAC name is N-(5-chloro-2,4-difluorophenyl)sulfanyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(5-chloro-2,4-difluorophenyl)sulfanyl-1,2,4-thiadiazol-5-amine
PubChem CID145181882
Molecular FormulaC8H4ClF2N3S2
Molecular Weight279.72 g/mol
Exact Mass278.95
IUPAC NameN-(5-chloro-2,4-difluorophenyl)sulfanyl-1,2,4-thiadiazol-5-amine
SMILESFc1cc(F)c(SNc2ncns2)cc1Cl
InChIInChI=1S/C8H4ClF2N3S2/c9-4-1-7(6(11)2-5(4)10)15-14-8-12-3-13-16-8/h1-3H,(H,12,13,14)
InChIKeyYHATVTDVICWUQR-UHFFFAOYSA-N
XLogP3.59
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.72
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,4-difluorophenyl)sulfanyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(5-chloro-2,4-difluorophenyl)sulfanyl-1,2,4-thiadiazol-5-amine (CID 145181882) is N-(5-chloro-2,4-difluorophenyl)sulfanyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(5-chloro-2,4-difluorophenyl)sulfanyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(5-chloro-2,4-difluorophenyl)sulfanyl-1,2,4-thiadiazol-5-amine is Fc1cc(F)c(SNc2ncns2)cc1Cl.
What is the InChIKey of N-(5-chloro-2,4-difluorophenyl)sulfanyl-1,2,4-thiadiazol-5-amine?
The InChIKey is YHATVTDVICWUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClF2N3S2/c9-4-1-7(6(11)2-5(4)10)15-14-8-12-3-13-16-8/h1-3H,(H,12,13,14).
What are the key properties of N-(5-chloro-2,4-difluorophenyl)sulfanyl-1,2,4-thiadiazol-5-amine?
N-(5-chloro-2,4-difluorophenyl)sulfanyl-1,2,4-thiadiazol-5-amine has a molecular weight of 279.72 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,4-difluorophenyl)sulfanyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 145181882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).