5-N-ethyl-4-pyridin-4-yl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine

C12H13F3N4S — CID 103360705

IUPAC5-N-ethyl-4-pyridin-4-yl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
SMILESCCN(CC(F)(F)F)c1snc(N)c1-c1ccncc1
InChIInChI=1S/C12H13F3N4S/c1-2-19(7-12(13,14)15)11-9(10(16)18-20-11)8-3-5-17-6-4-8/h3-6H,2,7H2,1H3,(H2,16,18)
InChIKeyJLCNUPSZKTVEBQ-UHFFFAOYSA-N
MW302.32 g/mol
LogP3.18
Rot. Bonds4

About 5-N-ethyl-4-pyridin-4-yl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine

5-N-ethyl-4-pyridin-4-yl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine (PubChem CID 103360705) has the molecular formula C12H13F3N4S and a molecular weight of 302.32 g/mol. Its IUPAC name is 5-N-ethyl-4-pyridin-4-yl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-ethyl-4-pyridin-4-yl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
PubChem CID103360705
Molecular FormulaC12H13F3N4S
Molecular Weight302.32 g/mol
Exact Mass302.08
IUPAC Name5-N-ethyl-4-pyridin-4-yl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
SMILESCCN(CC(F)(F)F)c1snc(N)c1-c1ccncc1
InChIInChI=1S/C12H13F3N4S/c1-2-19(7-12(13,14)15)11-9(10(16)18-20-11)8-3-5-17-6-4-8/h3-6H,2,7H2,1H3,(H2,16,18)
InChIKeyJLCNUPSZKTVEBQ-UHFFFAOYSA-N
XLogP3.18
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.32
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-N-ethyl-4-pyridin-4-yl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-ethyl-4-pyridin-4-yl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine (CID 103360705) is 5-N-ethyl-4-pyridin-4-yl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-ethyl-4-pyridin-4-yl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-ethyl-4-pyridin-4-yl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine is CCN(CC(F)(F)F)c1snc(N)c1-c1ccncc1.
What is the InChIKey of 5-N-ethyl-4-pyridin-4-yl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine?
The InChIKey is JLCNUPSZKTVEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N4S/c1-2-19(7-12(13,14)15)11-9(10(16)18-20-11)8-3-5-17-6-4-8/h3-6H,2,7H2,1H3,(H2,16,18).
What are the key properties of 5-N-ethyl-4-pyridin-4-yl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine?
5-N-ethyl-4-pyridin-4-yl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine has a molecular weight of 302.32 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-ethyl-4-pyridin-4-yl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103360705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).