2-N-ethyl-2-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2,5-diamine

C7H10F3N3S — CID 102768077

IUPAC2-N-ethyl-2-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2,5-diamine
SMILESCCN(CC(F)(F)F)c1ncc(N)s1
InChIInChI=1S/C7H10F3N3S/c1-2-13(4-7(8,9)10)6-12-3-5(11)14-6/h3H,2,4,11H2,1H3
InChIKeyMLJUQXCMUFJSJT-UHFFFAOYSA-N
MW225.24 g/mol
LogP2.11
Rot. Bonds3

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

2-N-ethyl-2-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2,5-diamine (PubChem CID 102768077) has the molecular formula C7H10F3N3S and a molecular weight of 225.24 g/mol. Its IUPAC name is 2-N-ethyl-2-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2,5-diamine.

Molecular Properties

Compound Name2-N-ethyl-2-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2,5-diamine
PubChem CID102768077
Molecular FormulaC7H10F3N3S
Molecular Weight225.24 g/mol
Exact Mass225.05
IUPAC Name2-N-ethyl-2-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2,5-diamine
SMILESCCN(CC(F)(F)F)c1ncc(N)s1
InChIInChI=1S/C7H10F3N3S/c1-2-13(4-7(8,9)10)6-12-3-5(11)14-6/h3H,2,4,11H2,1H3
InChIKeyMLJUQXCMUFJSJT-UHFFFAOYSA-N
XLogP2.11
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-2-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2,5-diamine?
The IUPAC name of 2-N-ethyl-2-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2,5-diamine (CID 102768077) is 2-N-ethyl-2-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2,5-diamine.
What is the SMILES notation for 2-N-ethyl-2-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2,5-diamine?
The canonical SMILES for 2-N-ethyl-2-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2,5-diamine is CCN(CC(F)(F)F)c1ncc(N)s1.
What is the InChIKey of 2-N-ethyl-2-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2,5-diamine?
The InChIKey is MLJUQXCMUFJSJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3S/c1-2-13(4-7(8,9)10)6-12-3-5(11)14-6/h3H,2,4,11H2,1H3.
What are the key properties of 2-N-ethyl-2-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2,5-diamine?
2-N-ethyl-2-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2,5-diamine has a molecular weight of 225.24 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-2-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2,5-diamine is sourced from PubChem (CID 102768077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).