4-pyridin-3-yl-5-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2-thiazole-3,5-diamine

C12H13F3N4OS — CID 103361715

IUPAC4-pyridin-3-yl-5-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2-thiazole-3,5-diamine
SMILESNc1nsc(NCCOCC(F)(F)F)c1-c1cccnc1
InChIInChI=1S/C12H13F3N4OS/c13-12(14,15)7-20-5-4-18-11-9(10(16)19-21-11)8-2-1-3-17-6-8/h1-3,6,18H,4-5,7H2,(H2,16,19)
InChIKeyPPJOWAQXJNRGSI-UHFFFAOYSA-N
MW318.32 g/mol
LogP2.78
Rot. Bonds6

About 4-pyridin-3-yl-5-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2-thiazole-3,5-diamine

4-pyridin-3-yl-5-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2-thiazole-3,5-diamine (PubChem CID 103361715) has the molecular formula C12H13F3N4OS and a molecular weight of 318.32 g/mol. Its IUPAC name is 4-pyridin-3-yl-5-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-pyridin-3-yl-5-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2-thiazole-3,5-diamine
PubChem CID103361715
Molecular FormulaC12H13F3N4OS
Molecular Weight318.32 g/mol
Exact Mass318.08
IUPAC Name4-pyridin-3-yl-5-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2-thiazole-3,5-diamine
SMILESNc1nsc(NCCOCC(F)(F)F)c1-c1cccnc1
InChIInChI=1S/C12H13F3N4OS/c13-12(14,15)7-20-5-4-18-11-9(10(16)19-21-11)8-2-1-3-17-6-8/h1-3,6,18H,4-5,7H2,(H2,16,19)
InChIKeyPPJOWAQXJNRGSI-UHFFFAOYSA-N
XLogP2.78
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.32
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-pyridin-3-yl-5-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2-thiazole-3,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-pyridin-3-yl-5-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-pyridin-3-yl-5-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2-thiazole-3,5-diamine (CID 103361715) is 4-pyridin-3-yl-5-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-pyridin-3-yl-5-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-pyridin-3-yl-5-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2-thiazole-3,5-diamine is Nc1nsc(NCCOCC(F)(F)F)c1-c1cccnc1.
What is the InChIKey of 4-pyridin-3-yl-5-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2-thiazole-3,5-diamine?
The InChIKey is PPJOWAQXJNRGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N4OS/c13-12(14,15)7-20-5-4-18-11-9(10(16)19-21-11)8-2-1-3-17-6-8/h1-3,6,18H,4-5,7H2,(H2,16,19).
What are the key properties of 4-pyridin-3-yl-5-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2-thiazole-3,5-diamine?
4-pyridin-3-yl-5-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2-thiazole-3,5-diamine has a molecular weight of 318.32 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-3-yl-5-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103361715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).