2-(2,4-difluorophenyl)sulfanyl-1,3-thiazol-5-amine

C9H6F2N2S2 — CID 102770251

IUPAC2-(2,4-difluorophenyl)sulfanyl-1,3-thiazol-5-amine
SMILESNc1cnc(Sc2ccc(F)cc2F)s1
InChIInChI=1S/C9H6F2N2S2/c10-5-1-2-7(6(11)3-5)14-9-13-4-8(12)15-9/h1-4H,12H2
InChIKeyYTOBCUODNYOGJO-UHFFFAOYSA-N
MW244.29 g/mol
LogP3.15
Rot. Bonds2

About 2-(2,4-difluorophenyl)sulfanyl-1,3-thiazol-5-amine

2-(2,4-difluorophenyl)sulfanyl-1,3-thiazol-5-amine (PubChem CID 102770251) has the molecular formula C9H6F2N2S2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)sulfanyl-1,3-thiazol-5-amine.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)sulfanyl-1,3-thiazol-5-amine
PubChem CID102770251
Molecular FormulaC9H6F2N2S2
Molecular Weight244.29 g/mol
Exact Mass243.99
IUPAC Name2-(2,4-difluorophenyl)sulfanyl-1,3-thiazol-5-amine
SMILESNc1cnc(Sc2ccc(F)cc2F)s1
InChIInChI=1S/C9H6F2N2S2/c10-5-1-2-7(6(11)3-5)14-9-13-4-8(12)15-9/h1-4H,12H2
InChIKeyYTOBCUODNYOGJO-UHFFFAOYSA-N
XLogP3.15
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)sulfanyl-1,3-thiazol-5-amine?
The IUPAC name of 2-(2,4-difluorophenyl)sulfanyl-1,3-thiazol-5-amine (CID 102770251) is 2-(2,4-difluorophenyl)sulfanyl-1,3-thiazol-5-amine.
What is the SMILES notation for 2-(2,4-difluorophenyl)sulfanyl-1,3-thiazol-5-amine?
The canonical SMILES for 2-(2,4-difluorophenyl)sulfanyl-1,3-thiazol-5-amine is Nc1cnc(Sc2ccc(F)cc2F)s1.
What is the InChIKey of 2-(2,4-difluorophenyl)sulfanyl-1,3-thiazol-5-amine?
The InChIKey is YTOBCUODNYOGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F2N2S2/c10-5-1-2-7(6(11)3-5)14-9-13-4-8(12)15-9/h1-4H,12H2.
What are the key properties of 2-(2,4-difluorophenyl)sulfanyl-1,3-thiazol-5-amine?
2-(2,4-difluorophenyl)sulfanyl-1,3-thiazol-5-amine has a molecular weight of 244.29 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)sulfanyl-1,3-thiazol-5-amine is sourced from PubChem (CID 102770251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).