4-pyridin-4-yl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine

C11H11F3N4S — CID 103361146

IUPAC4-pyridin-4-yl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine
SMILESNc1nsc(NCCC(F)(F)F)c1-c1ccncc1
InChIInChI=1S/C11H11F3N4S/c12-11(13,14)3-6-17-10-8(9(15)18-19-10)7-1-4-16-5-2-7/h1-2,4-5,17H,3,6H2,(H2,15,18)
InChIKeyFCCJZEPGPFLXNK-UHFFFAOYSA-N
MW288.30 g/mol
LogP3.15
Rot. Bonds4

About 4-pyridin-4-yl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine

4-pyridin-4-yl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine (PubChem CID 103361146) has the molecular formula C11H11F3N4S and a molecular weight of 288.30 g/mol. Its IUPAC name is 4-pyridin-4-yl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-pyridin-4-yl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine
PubChem CID103361146
Molecular FormulaC11H11F3N4S
Molecular Weight288.30 g/mol
Exact Mass288.07
IUPAC Name4-pyridin-4-yl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine
SMILESNc1nsc(NCCC(F)(F)F)c1-c1ccncc1
InChIInChI=1S/C11H11F3N4S/c12-11(13,14)3-6-17-10-8(9(15)18-19-10)7-1-4-16-5-2-7/h1-2,4-5,17H,3,6H2,(H2,15,18)
InChIKeyFCCJZEPGPFLXNK-UHFFFAOYSA-N
XLogP3.15
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-pyridin-4-yl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-pyridin-4-yl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine (CID 103361146) is 4-pyridin-4-yl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-pyridin-4-yl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-pyridin-4-yl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine is Nc1nsc(NCCC(F)(F)F)c1-c1ccncc1.
What is the InChIKey of 4-pyridin-4-yl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine?
The InChIKey is FCCJZEPGPFLXNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4S/c12-11(13,14)3-6-17-10-8(9(15)18-19-10)7-1-4-16-5-2-7/h1-2,4-5,17H,3,6H2,(H2,15,18).
What are the key properties of 4-pyridin-4-yl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine?
4-pyridin-4-yl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine has a molecular weight of 288.30 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-4-yl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103361146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).