2-N,4-N-bis(trifluoromethyl)-1,3-thiazole-2,4-diamine

C5H3F6N3S — CID 91169281

IUPAC2-N,4-N-bis(trifluoromethyl)-1,3-thiazole-2,4-diamine
SMILESFC(F)(F)Nc1csc(NC(F)(F)F)n1
InChIInChI=1S/C5H3F6N3S/c6-4(7,8)13-2-1-15-3(12-2)14-5(9,10)11/h1,13H,(H,12,14)
InChIKeyVWYHHAMKSXYWJZ-UHFFFAOYSA-N
MW251.16 g/mol
LogP3.01
Rot. Bonds2

About 2-N,4-N-bis(trifluoromethyl)-1,3-thiazole-2,4-diamine

2-N,4-N-bis(trifluoromethyl)-1,3-thiazole-2,4-diamine (PubChem CID 91169281) has the molecular formula C5H3F6N3S and a molecular weight of 251.16 g/mol. Its IUPAC name is 2-N,4-N-bis(trifluoromethyl)-1,3-thiazole-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-bis(trifluoromethyl)-1,3-thiazole-2,4-diamine
PubChem CID91169281
Molecular FormulaC5H3F6N3S
Molecular Weight251.16 g/mol
Exact Mass251.00
IUPAC Name2-N,4-N-bis(trifluoromethyl)-1,3-thiazole-2,4-diamine
SMILESFC(F)(F)Nc1csc(NC(F)(F)F)n1
InChIInChI=1S/C5H3F6N3S/c6-4(7,8)13-2-1-15-3(12-2)14-5(9,10)11/h1,13H,(H,12,14)
InChIKeyVWYHHAMKSXYWJZ-UHFFFAOYSA-N
XLogP3.01
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.16
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-bis(trifluoromethyl)-1,3-thiazole-2,4-diamine?
The IUPAC name of 2-N,4-N-bis(trifluoromethyl)-1,3-thiazole-2,4-diamine (CID 91169281) is 2-N,4-N-bis(trifluoromethyl)-1,3-thiazole-2,4-diamine.
What is the SMILES notation for 2-N,4-N-bis(trifluoromethyl)-1,3-thiazole-2,4-diamine?
The canonical SMILES for 2-N,4-N-bis(trifluoromethyl)-1,3-thiazole-2,4-diamine is FC(F)(F)Nc1csc(NC(F)(F)F)n1.
What is the InChIKey of 2-N,4-N-bis(trifluoromethyl)-1,3-thiazole-2,4-diamine?
The InChIKey is VWYHHAMKSXYWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F6N3S/c6-4(7,8)13-2-1-15-3(12-2)14-5(9,10)11/h1,13H,(H,12,14).
What are the key properties of 2-N,4-N-bis(trifluoromethyl)-1,3-thiazole-2,4-diamine?
2-N,4-N-bis(trifluoromethyl)-1,3-thiazole-2,4-diamine has a molecular weight of 251.16 g/mol, XLogP of 3.01, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-bis(trifluoromethyl)-1,3-thiazole-2,4-diamine is sourced from PubChem (CID 91169281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).