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

C13H15F3N4S — CID 103360723

IUPAC5-N-propyl-4-pyridin-3-yl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
SMILESCCCN(CC(F)(F)F)c1snc(N)c1-c1cccnc1
InChIInChI=1S/C13H15F3N4S/c1-2-6-20(8-13(14,15)16)12-10(11(17)19-21-12)9-4-3-5-18-7-9/h3-5,7H,2,6,8H2,1H3,(H2,17,19)
InChIKeyYNKAEMQXOGBEMA-UHFFFAOYSA-N
MW316.35 g/mol
LogP3.57
Rot. Bonds5

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

5-N-propyl-4-pyridin-3-yl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine (PubChem CID 103360723) has the molecular formula C13H15F3N4S and a molecular weight of 316.35 g/mol. Its IUPAC name is 5-N-propyl-4-pyridin-3-yl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-propyl-4-pyridin-3-yl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
PubChem CID103360723
Molecular FormulaC13H15F3N4S
Molecular Weight316.35 g/mol
Exact Mass316.10
IUPAC Name5-N-propyl-4-pyridin-3-yl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
SMILESCCCN(CC(F)(F)F)c1snc(N)c1-c1cccnc1
InChIInChI=1S/C13H15F3N4S/c1-2-6-20(8-13(14,15)16)12-10(11(17)19-21-12)9-4-3-5-18-7-9/h3-5,7H,2,6,8H2,1H3,(H2,17,19)
InChIKeyYNKAEMQXOGBEMA-UHFFFAOYSA-N
XLogP3.57
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-N-propyl-4-pyridin-3-yl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-propyl-4-pyridin-3-yl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine (CID 103360723) is 5-N-propyl-4-pyridin-3-yl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-propyl-4-pyridin-3-yl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-propyl-4-pyridin-3-yl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine is CCCN(CC(F)(F)F)c1snc(N)c1-c1cccnc1.
What is the InChIKey of 5-N-propyl-4-pyridin-3-yl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine?
The InChIKey is YNKAEMQXOGBEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N4S/c1-2-6-20(8-13(14,15)16)12-10(11(17)19-21-12)9-4-3-5-18-7-9/h3-5,7H,2,6,8H2,1H3,(H2,17,19).
What are the key properties of 5-N-propyl-4-pyridin-3-yl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine?
5-N-propyl-4-pyridin-3-yl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine has a molecular weight of 316.35 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-propyl-4-pyridin-3-yl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103360723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).