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

C10H16F3N3OS — CID 103364952

IUPAC4-propan-2-yloxy-5-N-(4,4,4-trifluorobutyl)-1,2-thiazole-3,5-diamine
SMILESCC(C)Oc1c(N)nsc1NCCCC(F)(F)F
InChIInChI=1S/C10H16F3N3OS/c1-6(2)17-7-8(14)16-18-9(7)15-5-3-4-10(11,12)13/h6,15H,3-5H2,1-2H3,(H2,14,16)
InChIKeyLRYQEXZKJSTSPK-UHFFFAOYSA-N
MW283.32 g/mol
LogP3.27
Rot. Bonds6

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

4-propan-2-yloxy-5-N-(4,4,4-trifluorobutyl)-1,2-thiazole-3,5-diamine (PubChem CID 103364952) has the molecular formula C10H16F3N3OS and a molecular weight of 283.32 g/mol. Its IUPAC name is 4-propan-2-yloxy-5-N-(4,4,4-trifluorobutyl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-propan-2-yloxy-5-N-(4,4,4-trifluorobutyl)-1,2-thiazole-3,5-diamine
PubChem CID103364952
Molecular FormulaC10H16F3N3OS
Molecular Weight283.32 g/mol
Exact Mass283.10
IUPAC Name4-propan-2-yloxy-5-N-(4,4,4-trifluorobutyl)-1,2-thiazole-3,5-diamine
SMILESCC(C)Oc1c(N)nsc1NCCCC(F)(F)F
InChIInChI=1S/C10H16F3N3OS/c1-6(2)17-7-8(14)16-18-9(7)15-5-3-4-10(11,12)13/h6,15H,3-5H2,1-2H3,(H2,14,16)
InChIKeyLRYQEXZKJSTSPK-UHFFFAOYSA-N
XLogP3.27
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 53.27
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-(4,4,4-trifluorobutyl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-propan-2-yloxy-5-N-(4,4,4-trifluorobutyl)-1,2-thiazole-3,5-diamine (CID 103364952) is 4-propan-2-yloxy-5-N-(4,4,4-trifluorobutyl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-propan-2-yloxy-5-N-(4,4,4-trifluorobutyl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-propan-2-yloxy-5-N-(4,4,4-trifluorobutyl)-1,2-thiazole-3,5-diamine is CC(C)Oc1c(N)nsc1NCCCC(F)(F)F.
What is the InChIKey of 4-propan-2-yloxy-5-N-(4,4,4-trifluorobutyl)-1,2-thiazole-3,5-diamine?
The InChIKey is LRYQEXZKJSTSPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3OS/c1-6(2)17-7-8(14)16-18-9(7)15-5-3-4-10(11,12)13/h6,15H,3-5H2,1-2H3,(H2,14,16).
What are the key properties of 4-propan-2-yloxy-5-N-(4,4,4-trifluorobutyl)-1,2-thiazole-3,5-diamine?
4-propan-2-yloxy-5-N-(4,4,4-trifluorobutyl)-1,2-thiazole-3,5-diamine has a molecular weight of 283.32 g/mol, XLogP of 3.27, 6 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-(4,4,4-trifluorobutyl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103364952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).