2-(4-methoxyoxan-4-yl)-4-(2-methyl-3-pyridinyl)-1,3-thiazole

C15H18N2O2S — CID 122154767

IUPAC2-(4-methoxyoxan-4-yl)-4-(2-methyl-3-pyridinyl)-1,3-thiazole
SMILESCOC1(c2nc(-c3cccnc3C)cs2)CCOCC1
InChIInChI=1S/C15H18N2O2S/c1-11-12(4-3-7-16-11)13-10-20-14(17-13)15(18-2)5-8-19-9-6-15/h3-4,7,10H,5-6,8-9H2,1-2H3
InChIKeyRQEJBFDPKRLYFE-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.17
Rot. Bonds3

About 2-(4-methoxyoxan-4-yl)-4-(2-methyl-3-pyridinyl)-1,3-thiazole

2-(4-methoxyoxan-4-yl)-4-(2-methyl-3-pyridinyl)-1,3-thiazole (PubChem CID 122154767) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 2-(4-methoxyoxan-4-yl)-4-(2-methyl-3-pyridinyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(4-methoxyoxan-4-yl)-4-(2-methyl-3-pyridinyl)-1,3-thiazole
PubChem CID122154767
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name2-(4-methoxyoxan-4-yl)-4-(2-methyl-3-pyridinyl)-1,3-thiazole
SMILESCOC1(c2nc(-c3cccnc3C)cs2)CCOCC1
InChIInChI=1S/C15H18N2O2S/c1-11-12(4-3-7-16-11)13-10-20-14(17-13)15(18-2)5-8-19-9-6-15/h3-4,7,10H,5-6,8-9H2,1-2H3
InChIKeyRQEJBFDPKRLYFE-UHFFFAOYSA-N
XLogP3.17
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyoxan-4-yl)-4-(2-methyl-3-pyridinyl)-1,3-thiazole?
The IUPAC name of 2-(4-methoxyoxan-4-yl)-4-(2-methyl-3-pyridinyl)-1,3-thiazole (CID 122154767) is 2-(4-methoxyoxan-4-yl)-4-(2-methyl-3-pyridinyl)-1,3-thiazole.
What is the SMILES notation for 2-(4-methoxyoxan-4-yl)-4-(2-methyl-3-pyridinyl)-1,3-thiazole?
The canonical SMILES for 2-(4-methoxyoxan-4-yl)-4-(2-methyl-3-pyridinyl)-1,3-thiazole is COC1(c2nc(-c3cccnc3C)cs2)CCOCC1.
What is the InChIKey of 2-(4-methoxyoxan-4-yl)-4-(2-methyl-3-pyridinyl)-1,3-thiazole?
The InChIKey is RQEJBFDPKRLYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-11-12(4-3-7-16-11)13-10-20-14(17-13)15(18-2)5-8-19-9-6-15/h3-4,7,10H,5-6,8-9H2,1-2H3.
What are the key properties of 2-(4-methoxyoxan-4-yl)-4-(2-methyl-3-pyridinyl)-1,3-thiazole?
2-(4-methoxyoxan-4-yl)-4-(2-methyl-3-pyridinyl)-1,3-thiazole has a molecular weight of 290.39 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyoxan-4-yl)-4-(2-methyl-3-pyridinyl)-1,3-thiazole is sourced from PubChem (CID 122154767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).