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

C11H11F3N4S — CID 103360594

IUPAC5-N-methyl-4-pyridin-4-yl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
SMILESCN(CC(F)(F)F)c1snc(N)c1-c1ccncc1
InChIInChI=1S/C11H11F3N4S/c1-18(6-11(12,13)14)10-8(9(15)17-19-10)7-2-4-16-5-3-7/h2-5H,6H2,1H3,(H2,15,17)
InChIKeyTYTFIBMMJSFXIL-UHFFFAOYSA-N
MW288.30 g/mol
LogP2.79
Rot. Bonds3

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

5-N-methyl-4-pyridin-4-yl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine (PubChem CID 103360594) has the molecular formula C11H11F3N4S and a molecular weight of 288.30 g/mol. Its IUPAC name is 5-N-methyl-4-pyridin-4-yl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-methyl-4-pyridin-4-yl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
PubChem CID103360594
Molecular FormulaC11H11F3N4S
Molecular Weight288.30 g/mol
Exact Mass288.07
IUPAC Name5-N-methyl-4-pyridin-4-yl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
SMILESCN(CC(F)(F)F)c1snc(N)c1-c1ccncc1
InChIInChI=1S/C11H11F3N4S/c1-18(6-11(12,13)14)10-8(9(15)17-19-10)7-2-4-16-5-3-7/h2-5H,6H2,1H3,(H2,15,17)
InChIKeyTYTFIBMMJSFXIL-UHFFFAOYSA-N
XLogP2.79
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-N-methyl-4-pyridin-4-yl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-methyl-4-pyridin-4-yl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine (CID 103360594) is 5-N-methyl-4-pyridin-4-yl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-methyl-4-pyridin-4-yl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-methyl-4-pyridin-4-yl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine is CN(CC(F)(F)F)c1snc(N)c1-c1ccncc1.
What is the InChIKey of 5-N-methyl-4-pyridin-4-yl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine?
The InChIKey is TYTFIBMMJSFXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4S/c1-18(6-11(12,13)14)10-8(9(15)17-19-10)7-2-4-16-5-3-7/h2-5H,6H2,1H3,(H2,15,17).
What are the key properties of 5-N-methyl-4-pyridin-4-yl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine?
5-N-methyl-4-pyridin-4-yl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine has a molecular weight of 288.30 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-methyl-4-pyridin-4-yl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103360594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).