4-methoxy-2-[2-(methoxymethyl)pyrrolidin-1-yl]-1,3-thiazole

C10H16N2O2S — CID 174748579

IUPAC4-methoxy-2-[2-(methoxymethyl)pyrrolidin-1-yl]-1,3-thiazole
SMILESCOCC1CCCN1c1nc(OC)cs1
InChIInChI=1S/C10H16N2O2S/c1-13-6-8-4-3-5-12(8)10-11-9(14-2)7-15-10/h7-8H,3-6H2,1-2H3
InChIKeyGPVYVBRJUPZWDE-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.77
Rot. Bonds4

About 4-methoxy-2-[2-(methoxymethyl)pyrrolidin-1-yl]-1,3-thiazole

4-methoxy-2-[2-(methoxymethyl)pyrrolidin-1-yl]-1,3-thiazole (PubChem CID 174748579) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 4-methoxy-2-[2-(methoxymethyl)pyrrolidin-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-methoxy-2-[2-(methoxymethyl)pyrrolidin-1-yl]-1,3-thiazole
PubChem CID174748579
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name4-methoxy-2-[2-(methoxymethyl)pyrrolidin-1-yl]-1,3-thiazole
SMILESCOCC1CCCN1c1nc(OC)cs1
InChIInChI=1S/C10H16N2O2S/c1-13-6-8-4-3-5-12(8)10-11-9(14-2)7-15-10/h7-8H,3-6H2,1-2H3
InChIKeyGPVYVBRJUPZWDE-UHFFFAOYSA-N
XLogP1.77
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[2-(methoxymethyl)pyrrolidin-1-yl]-1,3-thiazole?
The IUPAC name of 4-methoxy-2-[2-(methoxymethyl)pyrrolidin-1-yl]-1,3-thiazole (CID 174748579) is 4-methoxy-2-[2-(methoxymethyl)pyrrolidin-1-yl]-1,3-thiazole.
What is the SMILES notation for 4-methoxy-2-[2-(methoxymethyl)pyrrolidin-1-yl]-1,3-thiazole?
The canonical SMILES for 4-methoxy-2-[2-(methoxymethyl)pyrrolidin-1-yl]-1,3-thiazole is COCC1CCCN1c1nc(OC)cs1.
What is the InChIKey of 4-methoxy-2-[2-(methoxymethyl)pyrrolidin-1-yl]-1,3-thiazole?
The InChIKey is GPVYVBRJUPZWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-13-6-8-4-3-5-12(8)10-11-9(14-2)7-15-10/h7-8H,3-6H2,1-2H3.
What are the key properties of 4-methoxy-2-[2-(methoxymethyl)pyrrolidin-1-yl]-1,3-thiazole?
4-methoxy-2-[2-(methoxymethyl)pyrrolidin-1-yl]-1,3-thiazole has a molecular weight of 228.32 g/mol, XLogP of 1.77, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[2-(methoxymethyl)pyrrolidin-1-yl]-1,3-thiazole is sourced from PubChem (CID 174748579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).