4-methyl-N-[3-(pyridin-2-ylmethoxy)-2-pyridinyl]-1,3-thiazol-2-amine

C15H14N4OS — CID 16660016

IUPAC4-methyl-N-[3-(pyridin-2-ylmethoxy)-2-pyridinyl]-1,3-thiazol-2-amine
SMILESCc1csc(Nc2ncccc2OCc2ccccn2)n1
InChIInChI=1S/C15H14N4OS/c1-11-10-21-15(18-11)19-14-13(6-4-8-17-14)20-9-12-5-2-3-7-16-12/h2-8,10H,9H2,1H3,(H,17,18,19)
InChIKeyMLRHOZPGFVPVOQ-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.56
Rot. Bonds5

About 4-methyl-N-[3-(pyridin-2-ylmethoxy)-2-pyridinyl]-1,3-thiazol-2-amine

4-methyl-N-[3-(pyridin-2-ylmethoxy)-2-pyridinyl]-1,3-thiazol-2-amine (PubChem CID 16660016) has the molecular formula C15H14N4OS and a molecular weight of 298.37 g/mol. Its IUPAC name is 4-methyl-N-[3-(pyridin-2-ylmethoxy)-2-pyridinyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methyl-N-[3-(pyridin-2-ylmethoxy)-2-pyridinyl]-1,3-thiazol-2-amine
PubChem CID16660016
Molecular FormulaC15H14N4OS
Molecular Weight298.37 g/mol
Exact Mass298.09
IUPAC Name4-methyl-N-[3-(pyridin-2-ylmethoxy)-2-pyridinyl]-1,3-thiazol-2-amine
SMILESCc1csc(Nc2ncccc2OCc2ccccn2)n1
InChIInChI=1S/C15H14N4OS/c1-11-10-21-15(18-11)19-14-13(6-4-8-17-14)20-9-12-5-2-3-7-16-12/h2-8,10H,9H2,1H3,(H,17,18,19)
InChIKeyMLRHOZPGFVPVOQ-UHFFFAOYSA-N
XLogP3.56
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-(pyridin-2-ylmethoxy)-2-pyridinyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-methyl-N-[3-(pyridin-2-ylmethoxy)-2-pyridinyl]-1,3-thiazol-2-amine (CID 16660016) is 4-methyl-N-[3-(pyridin-2-ylmethoxy)-2-pyridinyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methyl-N-[3-(pyridin-2-ylmethoxy)-2-pyridinyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-methyl-N-[3-(pyridin-2-ylmethoxy)-2-pyridinyl]-1,3-thiazol-2-amine is Cc1csc(Nc2ncccc2OCc2ccccn2)n1.
What is the InChIKey of 4-methyl-N-[3-(pyridin-2-ylmethoxy)-2-pyridinyl]-1,3-thiazol-2-amine?
The InChIKey is MLRHOZPGFVPVOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4OS/c1-11-10-21-15(18-11)19-14-13(6-4-8-17-14)20-9-12-5-2-3-7-16-12/h2-8,10H,9H2,1H3,(H,17,18,19).
What are the key properties of 4-methyl-N-[3-(pyridin-2-ylmethoxy)-2-pyridinyl]-1,3-thiazol-2-amine?
4-methyl-N-[3-(pyridin-2-ylmethoxy)-2-pyridinyl]-1,3-thiazol-2-amine has a molecular weight of 298.37 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-(pyridin-2-ylmethoxy)-2-pyridinyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 16660016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).