4-propan-2-yloxy-5-N-(5,5,5-trifluoropentyl)-1,2-thiazole-3,5-diamine

C11H18F3N3OS — CID 103364978

IUPAC4-propan-2-yloxy-5-N-(5,5,5-trifluoropentyl)-1,2-thiazole-3,5-diamine
SMILESCC(C)Oc1c(N)nsc1NCCCCC(F)(F)F
InChIInChI=1S/C11H18F3N3OS/c1-7(2)18-8-9(15)17-19-10(8)16-6-4-3-5-11(12,13)14/h7,16H,3-6H2,1-2H3,(H2,15,17)
InChIKeyKFCAGEOAIQYLGZ-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.66
Rot. Bonds7

About 4-propan-2-yloxy-5-N-(5,5,5-trifluoropentyl)-1,2-thiazole-3,5-diamine

4-propan-2-yloxy-5-N-(5,5,5-trifluoropentyl)-1,2-thiazole-3,5-diamine (PubChem CID 103364978) has the molecular formula C11H18F3N3OS and a molecular weight of 297.35 g/mol. Its IUPAC name is 4-propan-2-yloxy-5-N-(5,5,5-trifluoropentyl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-propan-2-yloxy-5-N-(5,5,5-trifluoropentyl)-1,2-thiazole-3,5-diamine
PubChem CID103364978
Molecular FormulaC11H18F3N3OS
Molecular Weight297.35 g/mol
Exact Mass297.11
IUPAC Name4-propan-2-yloxy-5-N-(5,5,5-trifluoropentyl)-1,2-thiazole-3,5-diamine
SMILESCC(C)Oc1c(N)nsc1NCCCCC(F)(F)F
InChIInChI=1S/C11H18F3N3OS/c1-7(2)18-8-9(15)17-19-10(8)16-6-4-3-5-11(12,13)14/h7,16H,3-6H2,1-2H3,(H2,15,17)
InChIKeyKFCAGEOAIQYLGZ-UHFFFAOYSA-N
XLogP3.66
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yloxy-5-N-(5,5,5-trifluoropentyl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-propan-2-yloxy-5-N-(5,5,5-trifluoropentyl)-1,2-thiazole-3,5-diamine (CID 103364978) is 4-propan-2-yloxy-5-N-(5,5,5-trifluoropentyl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-propan-2-yloxy-5-N-(5,5,5-trifluoropentyl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-propan-2-yloxy-5-N-(5,5,5-trifluoropentyl)-1,2-thiazole-3,5-diamine is CC(C)Oc1c(N)nsc1NCCCCC(F)(F)F.
What is the InChIKey of 4-propan-2-yloxy-5-N-(5,5,5-trifluoropentyl)-1,2-thiazole-3,5-diamine?
The InChIKey is KFCAGEOAIQYLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3OS/c1-7(2)18-8-9(15)17-19-10(8)16-6-4-3-5-11(12,13)14/h7,16H,3-6H2,1-2H3,(H2,15,17).
What are the key properties of 4-propan-2-yloxy-5-N-(5,5,5-trifluoropentyl)-1,2-thiazole-3,5-diamine?
4-propan-2-yloxy-5-N-(5,5,5-trifluoropentyl)-1,2-thiazole-3,5-diamine has a molecular weight of 297.35 g/mol, XLogP of 3.66, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yloxy-5-N-(5,5,5-trifluoropentyl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103364978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).