N-propyl-6-(1,3-thiazol-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine

C13H14F3N3S — CID 102716803

IUPACN-propyl-6-(1,3-thiazol-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine
SMILESCCCNc1cc(C(F)(F)F)cc(Cc2nccs2)n1
InChIInChI=1S/C13H14F3N3S/c1-2-3-17-11-7-9(13(14,15)16)6-10(19-11)8-12-18-4-5-20-12/h4-7H,2-3,8H2,1H3,(H,17,19)
InChIKeyAADCPAPUWFJMGH-UHFFFAOYSA-N
MW301.34 g/mol
LogP3.97
Rot. Bonds5

About N-propyl-6-(1,3-thiazol-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine

N-propyl-6-(1,3-thiazol-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 102716803) has the molecular formula C13H14F3N3S and a molecular weight of 301.34 g/mol. Its IUPAC name is N-propyl-6-(1,3-thiazol-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-propyl-6-(1,3-thiazol-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine
PubChem CID102716803
Molecular FormulaC13H14F3N3S
Molecular Weight301.34 g/mol
Exact Mass301.09
IUPAC NameN-propyl-6-(1,3-thiazol-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine
SMILESCCCNc1cc(C(F)(F)F)cc(Cc2nccs2)n1
InChIInChI=1S/C13H14F3N3S/c1-2-3-17-11-7-9(13(14,15)16)6-10(19-11)8-12-18-4-5-20-12/h4-7H,2-3,8H2,1H3,(H,17,19)
InChIKeyAADCPAPUWFJMGH-UHFFFAOYSA-N
XLogP3.97
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-6-(1,3-thiazol-2-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106769688
6-(2-methylthiophen-3-yl)-N-propyl-4-(trifluoromethyl)pyridin-2-amine
CID 102838356
2-N-propyl-6-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717325
2-N-propyl-6-N-(1,3-thiazol-4-ylmethyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718545
N-propyl-6-(2,2,2-trifluoroethoxy)-4-(trifluoromethyl)pyridin-2-amine
CID 102719676
6-N,2-dipropyl-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine
CID 80942872
N-[2-(1,3-thiazol-2-yl)ethyl]-4-(trifluoromethyl)pyridin-2-amine
CID 66328284
6-N-ethyl-4-N-[2-(1,3-thiazol-2-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771926
6-(3,3-dimethylbutoxy)-N-propyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720042
5-[[6-(propylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol
CID 107324249
6-N-(2-methylbutyl)-2-N-propyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718352
6-(4-methylpentoxy)-N-propyl-4-(trifluoromethyl)pyridin-2-amine
CID 102719649

Frequently Asked Questions

What is the IUPAC name of N-propyl-6-(1,3-thiazol-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-propyl-6-(1,3-thiazol-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine (CID 102716803) is N-propyl-6-(1,3-thiazol-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-propyl-6-(1,3-thiazol-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-propyl-6-(1,3-thiazol-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine is CCCNc1cc(C(F)(F)F)cc(Cc2nccs2)n1.
What is the InChIKey of N-propyl-6-(1,3-thiazol-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is AADCPAPUWFJMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3S/c1-2-3-17-11-7-9(13(14,15)16)6-10(19-11)8-12-18-4-5-20-12/h4-7H,2-3,8H2,1H3,(H,17,19).
What are the key properties of N-propyl-6-(1,3-thiazol-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine?
N-propyl-6-(1,3-thiazol-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 301.34 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-6-(1,3-thiazol-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 102716803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).