2-ethyl-4-[(2-methyl-3-pyridinyl)oxymethyl]-1,3-thiazole

C12H14N2OS — CID 75385040

IUPAC2-ethyl-4-[(2-methyl-3-pyridinyl)oxymethyl]-1,3-thiazole
SMILESCCc1nc(COc2cccnc2C)cs1
InChIInChI=1S/C12H14N2OS/c1-3-12-14-10(8-16-12)7-15-11-5-4-6-13-9(11)2/h4-6,8H,3,7H2,1-2H3
InChIKeyZPKMFSOKTDDFDI-UHFFFAOYSA-N
MW234.32 g/mol
LogP2.99
Rot. Bonds4

About 2-ethyl-4-[(2-methyl-3-pyridinyl)oxymethyl]-1,3-thiazole

2-ethyl-4-[(2-methyl-3-pyridinyl)oxymethyl]-1,3-thiazole (PubChem CID 75385040) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is 2-ethyl-4-[(2-methyl-3-pyridinyl)oxymethyl]-1,3-thiazole.

Molecular Properties

Compound Name2-ethyl-4-[(2-methyl-3-pyridinyl)oxymethyl]-1,3-thiazole
PubChem CID75385040
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name2-ethyl-4-[(2-methyl-3-pyridinyl)oxymethyl]-1,3-thiazole
SMILESCCc1nc(COc2cccnc2C)cs1
InChIInChI=1S/C12H14N2OS/c1-3-12-14-10(8-16-12)7-15-11-5-4-6-13-9(11)2/h4-6,8H,3,7H2,1-2H3
InChIKeyZPKMFSOKTDDFDI-UHFFFAOYSA-N
XLogP2.99
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[(2-methyl-3-pyridinyl)oxymethyl]-1,3-thiazole?
The IUPAC name of 2-ethyl-4-[(2-methyl-3-pyridinyl)oxymethyl]-1,3-thiazole (CID 75385040) is 2-ethyl-4-[(2-methyl-3-pyridinyl)oxymethyl]-1,3-thiazole.
What is the SMILES notation for 2-ethyl-4-[(2-methyl-3-pyridinyl)oxymethyl]-1,3-thiazole?
The canonical SMILES for 2-ethyl-4-[(2-methyl-3-pyridinyl)oxymethyl]-1,3-thiazole is CCc1nc(COc2cccnc2C)cs1.
What is the InChIKey of 2-ethyl-4-[(2-methyl-3-pyridinyl)oxymethyl]-1,3-thiazole?
The InChIKey is ZPKMFSOKTDDFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c1-3-12-14-10(8-16-12)7-15-11-5-4-6-13-9(11)2/h4-6,8H,3,7H2,1-2H3.
What are the key properties of 2-ethyl-4-[(2-methyl-3-pyridinyl)oxymethyl]-1,3-thiazole?
2-ethyl-4-[(2-methyl-3-pyridinyl)oxymethyl]-1,3-thiazole has a molecular weight of 234.32 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[(2-methyl-3-pyridinyl)oxymethyl]-1,3-thiazole is sourced from PubChem (CID 75385040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).