4-methoxy-2-pyridin-3-yl-N-[1-(1,1,1-trifluoropropan-2-yloxy)ethenyl]-1,3-thiazol-5-amine

C14H14F3N3O2S — CID 118944669

IUPAC4-methoxy-2-pyridin-3-yl-N-[1-(1,1,1-trifluoropropan-2-yloxy)ethenyl]-1,3-thiazol-5-amine
SMILESC=C(Nc1sc(-c2cccnc2)nc1OC)OC(C)C(F)(F)F
InChIInChI=1S/C14H14F3N3O2S/c1-8(14(15,16)17)22-9(2)19-13-11(21-3)20-12(23-13)10-5-4-6-18-7-10/h4-8,19H,2H2,1,3H3
InChIKeyRZHMCEIQLRNQTG-UHFFFAOYSA-N
MW345.35 g/mol
LogP4.06
Rot. Bonds6

About 4-methoxy-2-pyridin-3-yl-N-[1-(1,1,1-trifluoropropan-2-yloxy)ethenyl]-1,3-thiazol-5-amine

4-methoxy-2-pyridin-3-yl-N-[1-(1,1,1-trifluoropropan-2-yloxy)ethenyl]-1,3-thiazol-5-amine (PubChem CID 118944669) has the molecular formula C14H14F3N3O2S and a molecular weight of 345.35 g/mol. Its IUPAC name is 4-methoxy-2-pyridin-3-yl-N-[1-(1,1,1-trifluoropropan-2-yloxy)ethenyl]-1,3-thiazol-5-amine.

Molecular Properties

Compound Name4-methoxy-2-pyridin-3-yl-N-[1-(1,1,1-trifluoropropan-2-yloxy)ethenyl]-1,3-thiazol-5-amine
PubChem CID118944669
Molecular FormulaC14H14F3N3O2S
Molecular Weight345.35 g/mol
Exact Mass345.08
IUPAC Name4-methoxy-2-pyridin-3-yl-N-[1-(1,1,1-trifluoropropan-2-yloxy)ethenyl]-1,3-thiazol-5-amine
SMILESC=C(Nc1sc(-c2cccnc2)nc1OC)OC(C)C(F)(F)F
InChIInChI=1S/C14H14F3N3O2S/c1-8(14(15,16)17)22-9(2)19-13-11(21-3)20-12(23-13)10-5-4-6-18-7-10/h4-8,19H,2H2,1,3H3
InChIKeyRZHMCEIQLRNQTG-UHFFFAOYSA-N
XLogP4.06
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-pyridin-3-yl-N-[1-(1,1,1-trifluoropropan-2-yloxy)ethenyl]-1,3-thiazol-5-amine?
The IUPAC name of 4-methoxy-2-pyridin-3-yl-N-[1-(1,1,1-trifluoropropan-2-yloxy)ethenyl]-1,3-thiazol-5-amine (CID 118944669) is 4-methoxy-2-pyridin-3-yl-N-[1-(1,1,1-trifluoropropan-2-yloxy)ethenyl]-1,3-thiazol-5-amine.
What is the SMILES notation for 4-methoxy-2-pyridin-3-yl-N-[1-(1,1,1-trifluoropropan-2-yloxy)ethenyl]-1,3-thiazol-5-amine?
The canonical SMILES for 4-methoxy-2-pyridin-3-yl-N-[1-(1,1,1-trifluoropropan-2-yloxy)ethenyl]-1,3-thiazol-5-amine is C=C(Nc1sc(-c2cccnc2)nc1OC)OC(C)C(F)(F)F.
What is the InChIKey of 4-methoxy-2-pyridin-3-yl-N-[1-(1,1,1-trifluoropropan-2-yloxy)ethenyl]-1,3-thiazol-5-amine?
The InChIKey is RZHMCEIQLRNQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O2S/c1-8(14(15,16)17)22-9(2)19-13-11(21-3)20-12(23-13)10-5-4-6-18-7-10/h4-8,19H,2H2,1,3H3.
What are the key properties of 4-methoxy-2-pyridin-3-yl-N-[1-(1,1,1-trifluoropropan-2-yloxy)ethenyl]-1,3-thiazol-5-amine?
4-methoxy-2-pyridin-3-yl-N-[1-(1,1,1-trifluoropropan-2-yloxy)ethenyl]-1,3-thiazol-5-amine has a molecular weight of 345.35 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-pyridin-3-yl-N-[1-(1,1,1-trifluoropropan-2-yloxy)ethenyl]-1,3-thiazol-5-amine is sourced from PubChem (CID 118944669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).