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

C9H14F3N3OS — CID 103363221

IUPAC4-ethoxy-5-N-methyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine
SMILESCCOc1c(N)nsc1N(C)CCC(F)(F)F
InChIInChI=1S/C9H14F3N3OS/c1-3-16-6-7(13)14-17-8(6)15(2)5-4-9(10,11)12/h3-5H2,1-2H3,(H2,13,14)
InChIKeyZJZYLJURBNIAGR-UHFFFAOYSA-N
MW269.29 g/mol
LogP2.51
Rot. Bonds5

About 4-ethoxy-5-N-methyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine

4-ethoxy-5-N-methyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine (PubChem CID 103363221) has the molecular formula C9H14F3N3OS and a molecular weight of 269.29 g/mol. Its IUPAC name is 4-ethoxy-5-N-methyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-ethoxy-5-N-methyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine
PubChem CID103363221
Molecular FormulaC9H14F3N3OS
Molecular Weight269.29 g/mol
Exact Mass269.08
IUPAC Name4-ethoxy-5-N-methyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine
SMILESCCOc1c(N)nsc1N(C)CCC(F)(F)F
InChIInChI=1S/C9H14F3N3OS/c1-3-16-6-7(13)14-17-8(6)15(2)5-4-9(10,11)12/h3-5H2,1-2H3,(H2,13,14)
InChIKeyZJZYLJURBNIAGR-UHFFFAOYSA-N
XLogP2.51
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.29
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-5-N-methyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-ethoxy-5-N-methyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine (CID 103363221) is 4-ethoxy-5-N-methyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-ethoxy-5-N-methyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-ethoxy-5-N-methyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine is CCOc1c(N)nsc1N(C)CCC(F)(F)F.
What is the InChIKey of 4-ethoxy-5-N-methyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine?
The InChIKey is ZJZYLJURBNIAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3OS/c1-3-16-6-7(13)14-17-8(6)15(2)5-4-9(10,11)12/h3-5H2,1-2H3,(H2,13,14).
What are the key properties of 4-ethoxy-5-N-methyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine?
4-ethoxy-5-N-methyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine has a molecular weight of 269.29 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-5-N-methyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103363221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).