4-methyl-N-[3-(quinolin-8-ylmethoxy)-2-pyridinyl]-1,3-thiazol-2-amine

C19H16N4OS — CID 16660167

IUPAC4-methyl-N-[3-(quinolin-8-ylmethoxy)-2-pyridinyl]-1,3-thiazol-2-amine
SMILESCc1csc(Nc2ncccc2OCc2cccc3cccnc23)n1
InChIInChI=1S/C19H16N4OS/c1-13-12-25-19(22-13)23-18-16(8-4-10-21-18)24-11-15-6-2-5-14-7-3-9-20-17(14)15/h2-10,12H,11H2,1H3,(H,21,22,23)
InChIKeyBBEFHJVKBFBINK-UHFFFAOYSA-N
MW348.43 g/mol
LogP4.72
Rot. Bonds5

About 4-methyl-N-[3-(quinolin-8-ylmethoxy)-2-pyridinyl]-1,3-thiazol-2-amine

4-methyl-N-[3-(quinolin-8-ylmethoxy)-2-pyridinyl]-1,3-thiazol-2-amine (PubChem CID 16660167) has the molecular formula C19H16N4OS and a molecular weight of 348.43 g/mol. Its IUPAC name is 4-methyl-N-[3-(quinolin-8-ylmethoxy)-2-pyridinyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methyl-N-[3-(quinolin-8-ylmethoxy)-2-pyridinyl]-1,3-thiazol-2-amine
PubChem CID16660167
Molecular FormulaC19H16N4OS
Molecular Weight348.43 g/mol
Exact Mass348.10
IUPAC Name4-methyl-N-[3-(quinolin-8-ylmethoxy)-2-pyridinyl]-1,3-thiazol-2-amine
SMILESCc1csc(Nc2ncccc2OCc2cccc3cccnc23)n1
InChIInChI=1S/C19H16N4OS/c1-13-12-25-19(22-13)23-18-16(8-4-10-21-18)24-11-15-6-2-5-14-7-3-9-20-17(14)15/h2-10,12H,11H2,1H3,(H,21,22,23)
InChIKeyBBEFHJVKBFBINK-UHFFFAOYSA-N
XLogP4.72
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 54.72
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-(quinolin-8-ylmethoxy)-2-pyridinyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-methyl-N-[3-(quinolin-8-ylmethoxy)-2-pyridinyl]-1,3-thiazol-2-amine (CID 16660167) is 4-methyl-N-[3-(quinolin-8-ylmethoxy)-2-pyridinyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methyl-N-[3-(quinolin-8-ylmethoxy)-2-pyridinyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-methyl-N-[3-(quinolin-8-ylmethoxy)-2-pyridinyl]-1,3-thiazol-2-amine is Cc1csc(Nc2ncccc2OCc2cccc3cccnc23)n1.
What is the InChIKey of 4-methyl-N-[3-(quinolin-8-ylmethoxy)-2-pyridinyl]-1,3-thiazol-2-amine?
The InChIKey is BBEFHJVKBFBINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4OS/c1-13-12-25-19(22-13)23-18-16(8-4-10-21-18)24-11-15-6-2-5-14-7-3-9-20-17(14)15/h2-10,12H,11H2,1H3,(H,21,22,23).
What are the key properties of 4-methyl-N-[3-(quinolin-8-ylmethoxy)-2-pyridinyl]-1,3-thiazol-2-amine?
4-methyl-N-[3-(quinolin-8-ylmethoxy)-2-pyridinyl]-1,3-thiazol-2-amine has a molecular weight of 348.43 g/mol, XLogP of 4.72, 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-(quinolin-8-ylmethoxy)-2-pyridinyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 16660167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).