2-N-(2,3,5-trifluorophenyl)-1,3-thiazole-2,5-diamine

C9H6F3N3S — CID 102768335

IUPAC2-N-(2,3,5-trifluorophenyl)-1,3-thiazole-2,5-diamine
SMILESNc1cnc(Nc2cc(F)cc(F)c2F)s1
InChIInChI=1S/C9H6F3N3S/c10-4-1-5(11)8(12)6(2-4)15-9-14-3-7(13)16-9/h1-3H,13H2,(H,14,15)
InChIKeyRXMAGNDANANAIQ-UHFFFAOYSA-N
MW245.23 g/mol
LogP2.89
Rot. Bonds2

About 2-N-(2,3,5-trifluorophenyl)-1,3-thiazole-2,5-diamine

2-N-(2,3,5-trifluorophenyl)-1,3-thiazole-2,5-diamine (PubChem CID 102768335) has the molecular formula C9H6F3N3S and a molecular weight of 245.23 g/mol. Its IUPAC name is 2-N-(2,3,5-trifluorophenyl)-1,3-thiazole-2,5-diamine.

Molecular Properties

Compound Name2-N-(2,3,5-trifluorophenyl)-1,3-thiazole-2,5-diamine
PubChem CID102768335
Molecular FormulaC9H6F3N3S
Molecular Weight245.23 g/mol
Exact Mass245.02
IUPAC Name2-N-(2,3,5-trifluorophenyl)-1,3-thiazole-2,5-diamine
SMILESNc1cnc(Nc2cc(F)cc(F)c2F)s1
InChIInChI=1S/C9H6F3N3S/c10-4-1-5(11)8(12)6(2-4)15-9-14-3-7(13)16-9/h1-3H,13H2,(H,14,15)
InChIKeyRXMAGNDANANAIQ-UHFFFAOYSA-N
XLogP2.89
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 52.89
H-Bond Donors ≤ 52
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 2-N-(2,3,5-trifluorophenyl)-1,3-thiazole-2,5-diamine?
The IUPAC name of 2-N-(2,3,5-trifluorophenyl)-1,3-thiazole-2,5-diamine (CID 102768335) is 2-N-(2,3,5-trifluorophenyl)-1,3-thiazole-2,5-diamine.
What is the SMILES notation for 2-N-(2,3,5-trifluorophenyl)-1,3-thiazole-2,5-diamine?
The canonical SMILES for 2-N-(2,3,5-trifluorophenyl)-1,3-thiazole-2,5-diamine is Nc1cnc(Nc2cc(F)cc(F)c2F)s1.
What is the InChIKey of 2-N-(2,3,5-trifluorophenyl)-1,3-thiazole-2,5-diamine?
The InChIKey is RXMAGNDANANAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3N3S/c10-4-1-5(11)8(12)6(2-4)15-9-14-3-7(13)16-9/h1-3H,13H2,(H,14,15).
What are the key properties of 2-N-(2,3,5-trifluorophenyl)-1,3-thiazole-2,5-diamine?
2-N-(2,3,5-trifluorophenyl)-1,3-thiazole-2,5-diamine has a molecular weight of 245.23 g/mol, XLogP of 2.89, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,3,5-trifluorophenyl)-1,3-thiazole-2,5-diamine is sourced from PubChem (CID 102768335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).