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

C6H8F3N3S — CID 103361151

IUPAC5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine
SMILESNc1cc(NCCC(F)(F)F)sn1
InChIInChI=1S/C6H8F3N3S/c7-6(8,9)1-2-11-5-3-4(10)12-13-5/h3,11H,1-2H2,(H2,10,12)
InChIKeyCIXRTDIELZCRSR-UHFFFAOYSA-N
MW211.21 g/mol
LogP2.09
Rot. Bonds3

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

5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine (PubChem CID 103361151) has the molecular formula C6H8F3N3S and a molecular weight of 211.21 g/mol. Its IUPAC name is 5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine
PubChem CID103361151
Molecular FormulaC6H8F3N3S
Molecular Weight211.21 g/mol
Exact Mass211.04
IUPAC Name5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine
SMILESNc1cc(NCCC(F)(F)F)sn1
InChIInChI=1S/C6H8F3N3S/c7-6(8,9)1-2-11-5-3-4(10)12-13-5/h3,11H,1-2H2,(H2,10,12)
InChIKeyCIXRTDIELZCRSR-UHFFFAOYSA-N
XLogP2.09
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.21
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine (CID 103361151) is 5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine is Nc1cc(NCCC(F)(F)F)sn1.
What is the InChIKey of 5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine?
The InChIKey is CIXRTDIELZCRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N3S/c7-6(8,9)1-2-11-5-3-4(10)12-13-5/h3,11H,1-2H2,(H2,10,12).
What are the key properties of 5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine?
5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine has a molecular weight of 211.21 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103361151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).