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

C11H18F3N3OS — CID 103360728

IUPAC4-propan-2-yloxy-5-N-propyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
SMILESCCCN(CC(F)(F)F)c1snc(N)c1OC(C)C
InChIInChI=1S/C11H18F3N3OS/c1-4-5-17(6-11(12,13)14)10-8(18-7(2)3)9(15)16-19-10/h7H,4-6H2,1-3H3,(H2,15,16)
InChIKeyYYZDUOUWNMVXCB-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.29
Rot. Bonds6

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

4-propan-2-yloxy-5-N-propyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine (PubChem CID 103360728) has the molecular formula C11H18F3N3OS and a molecular weight of 297.35 g/mol. Its IUPAC name is 4-propan-2-yloxy-5-N-propyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-propan-2-yloxy-5-N-propyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
PubChem CID103360728
Molecular FormulaC11H18F3N3OS
Molecular Weight297.35 g/mol
Exact Mass297.11
IUPAC Name4-propan-2-yloxy-5-N-propyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
SMILESCCCN(CC(F)(F)F)c1snc(N)c1OC(C)C
InChIInChI=1S/C11H18F3N3OS/c1-4-5-17(6-11(12,13)14)10-8(18-7(2)3)9(15)16-19-10/h7H,4-6H2,1-3H3,(H2,15,16)
InChIKeyYYZDUOUWNMVXCB-UHFFFAOYSA-N
XLogP3.29
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yloxy-5-N-propyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-propan-2-yloxy-5-N-propyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine (CID 103360728) is 4-propan-2-yloxy-5-N-propyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-propan-2-yloxy-5-N-propyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-propan-2-yloxy-5-N-propyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine is CCCN(CC(F)(F)F)c1snc(N)c1OC(C)C.
What is the InChIKey of 4-propan-2-yloxy-5-N-propyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine?
The InChIKey is YYZDUOUWNMVXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3OS/c1-4-5-17(6-11(12,13)14)10-8(18-7(2)3)9(15)16-19-10/h7H,4-6H2,1-3H3,(H2,15,16).
What are the key properties of 4-propan-2-yloxy-5-N-propyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine?
4-propan-2-yloxy-5-N-propyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine has a molecular weight of 297.35 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yloxy-5-N-propyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103360728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).