2-N-propyl-6-N-(1,3-thiazol-4-ylmethyl)-4-(trifluoromethyl)pyridine-2,6-diamine

C13H15F3N4S — CID 102718545

IUPAC2-N-propyl-6-N-(1,3-thiazol-4-ylmethyl)-4-(trifluoromethyl)pyridine-2,6-diamine
SMILESCCCNc1cc(C(F)(F)F)cc(NCc2cscn2)n1
InChIInChI=1S/C13H15F3N4S/c1-2-3-17-11-4-9(13(14,15)16)5-12(20-11)18-6-10-7-21-8-19-10/h4-5,7-8H,2-3,6H2,1H3,(H2,17,18,20)
InChIKeyNKVCOGKTIIHFEQ-UHFFFAOYSA-N
MW316.35 g/mol
LogP3.99
Rot. Bonds6

About 2-N-propyl-6-N-(1,3-thiazol-4-ylmethyl)-4-(trifluoromethyl)pyridine-2,6-diamine

2-N-propyl-6-N-(1,3-thiazol-4-ylmethyl)-4-(trifluoromethyl)pyridine-2,6-diamine (PubChem CID 102718545) has the molecular formula C13H15F3N4S and a molecular weight of 316.35 g/mol. Its IUPAC name is 2-N-propyl-6-N-(1,3-thiazol-4-ylmethyl)-4-(trifluoromethyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name2-N-propyl-6-N-(1,3-thiazol-4-ylmethyl)-4-(trifluoromethyl)pyridine-2,6-diamine
PubChem CID102718545
Molecular FormulaC13H15F3N4S
Molecular Weight316.35 g/mol
Exact Mass316.10
IUPAC Name2-N-propyl-6-N-(1,3-thiazol-4-ylmethyl)-4-(trifluoromethyl)pyridine-2,6-diamine
SMILESCCCNc1cc(C(F)(F)F)cc(NCc2cscn2)n1
InChIInChI=1S/C13H15F3N4S/c1-2-3-17-11-4-9(13(14,15)16)5-12(20-11)18-6-10-7-21-8-19-10/h4-5,7-8H,2-3,6H2,1H3,(H2,17,18,20)
InChIKeyNKVCOGKTIIHFEQ-UHFFFAOYSA-N
XLogP3.99
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-ethyl-6-N-(1,3-thiazol-4-ylmethyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718546
2-N-ethyl-6-N-[2-(1,3-thiazol-4-yl)ethyl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718549
2-N-propyl-6-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717325
6-N-ethyl-2-propyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine
CID 80949872
6-N-(furan-3-ylmethyl)-2-N-propyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102719417
N-propyl-6-(2,2,2-trifluoroethoxy)-4-(trifluoromethyl)pyridin-2-amine
CID 102719676
6-N-(2-methylbutyl)-2-N-propyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718352
5-[[6-(propylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol
CID 107324249
N-propyl-6-(1,3-thiazol-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102716803
N-(1,3-thiazol-4-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine
CID 62313093
2-N,6-dimethyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-diamine
CID 80845473
6-N-butyl-2-N-ethyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717307

Frequently Asked Questions

What is the IUPAC name of 2-N-propyl-6-N-(1,3-thiazol-4-ylmethyl)-4-(trifluoromethyl)pyridine-2,6-diamine?
The IUPAC name of 2-N-propyl-6-N-(1,3-thiazol-4-ylmethyl)-4-(trifluoromethyl)pyridine-2,6-diamine (CID 102718545) is 2-N-propyl-6-N-(1,3-thiazol-4-ylmethyl)-4-(trifluoromethyl)pyridine-2,6-diamine.
What is the SMILES notation for 2-N-propyl-6-N-(1,3-thiazol-4-ylmethyl)-4-(trifluoromethyl)pyridine-2,6-diamine?
The canonical SMILES for 2-N-propyl-6-N-(1,3-thiazol-4-ylmethyl)-4-(trifluoromethyl)pyridine-2,6-diamine is CCCNc1cc(C(F)(F)F)cc(NCc2cscn2)n1.
What is the InChIKey of 2-N-propyl-6-N-(1,3-thiazol-4-ylmethyl)-4-(trifluoromethyl)pyridine-2,6-diamine?
The InChIKey is NKVCOGKTIIHFEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N4S/c1-2-3-17-11-4-9(13(14,15)16)5-12(20-11)18-6-10-7-21-8-19-10/h4-5,7-8H,2-3,6H2,1H3,(H2,17,18,20).
What are the key properties of 2-N-propyl-6-N-(1,3-thiazol-4-ylmethyl)-4-(trifluoromethyl)pyridine-2,6-diamine?
2-N-propyl-6-N-(1,3-thiazol-4-ylmethyl)-4-(trifluoromethyl)pyridine-2,6-diamine has a molecular weight of 316.35 g/mol, XLogP of 3.99, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-propyl-6-N-(1,3-thiazol-4-ylmethyl)-4-(trifluoromethyl)pyridine-2,6-diamine is sourced from PubChem (CID 102718545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).