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

C6H8F3N3S — CID 102768430

IUPAC2-N-(3,3,3-trifluoropropyl)-1,3-thiazole-2,5-diamine
SMILESNc1cnc(NCCC(F)(F)F)s1
InChIInChI=1S/C6H8F3N3S/c7-6(8,9)1-2-11-5-12-3-4(10)13-5/h3H,1-2,10H2,(H,11,12)
InChIKeyNOCUPVWXYVTSAX-UHFFFAOYSA-N
MW211.21 g/mol
LogP2.09
Rot. Bonds3

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

2-N-(3,3,3-trifluoropropyl)-1,3-thiazole-2,5-diamine (PubChem CID 102768430) has the molecular formula C6H8F3N3S and a molecular weight of 211.21 g/mol. Its IUPAC name is 2-N-(3,3,3-trifluoropropyl)-1,3-thiazole-2,5-diamine.

Molecular Properties

Compound Name2-N-(3,3,3-trifluoropropyl)-1,3-thiazole-2,5-diamine
PubChem CID102768430
Molecular FormulaC6H8F3N3S
Molecular Weight211.21 g/mol
Exact Mass211.04
IUPAC Name2-N-(3,3,3-trifluoropropyl)-1,3-thiazole-2,5-diamine
SMILESNc1cnc(NCCC(F)(F)F)s1
InChIInChI=1S/C6H8F3N3S/c7-6(8,9)1-2-11-5-12-3-4(10)13-5/h3H,1-2,10H2,(H,11,12)
InChIKeyNOCUPVWXYVTSAX-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 2-N-(3,3,3-trifluoropropyl)-1,3-thiazole-2,5-diamine?
The IUPAC name of 2-N-(3,3,3-trifluoropropyl)-1,3-thiazole-2,5-diamine (CID 102768430) is 2-N-(3,3,3-trifluoropropyl)-1,3-thiazole-2,5-diamine.
What is the SMILES notation for 2-N-(3,3,3-trifluoropropyl)-1,3-thiazole-2,5-diamine?
The canonical SMILES for 2-N-(3,3,3-trifluoropropyl)-1,3-thiazole-2,5-diamine is Nc1cnc(NCCC(F)(F)F)s1.
What is the InChIKey of 2-N-(3,3,3-trifluoropropyl)-1,3-thiazole-2,5-diamine?
The InChIKey is NOCUPVWXYVTSAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N3S/c7-6(8,9)1-2-11-5-12-3-4(10)13-5/h3H,1-2,10H2,(H,11,12).
What are the key properties of 2-N-(3,3,3-trifluoropropyl)-1,3-thiazole-2,5-diamine?
2-N-(3,3,3-trifluoropropyl)-1,3-thiazole-2,5-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 2-N-(3,3,3-trifluoropropyl)-1,3-thiazole-2,5-diamine is sourced from PubChem (CID 102768430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).