2-methoxy-4-methyl-5-pyrrolidin-2-yl-1,3-thiazole

C9H14N2OS — CID 82607317

IUPAC2-methoxy-4-methyl-5-pyrrolidin-2-yl-1,3-thiazole
SMILESCOc1nc(C)c(C2CCCN2)s1
InChIInChI=1S/C9H14N2OS/c1-6-8(7-4-3-5-10-7)13-9(11-6)12-2/h7,10H,3-5H2,1-2H3
InChIKeyWKPAVXPJERWUHX-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.88
Rot. Bonds2

About 2-methoxy-4-methyl-5-pyrrolidin-2-yl-1,3-thiazole

2-methoxy-4-methyl-5-pyrrolidin-2-yl-1,3-thiazole (PubChem CID 82607317) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 2-methoxy-4-methyl-5-pyrrolidin-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2-methoxy-4-methyl-5-pyrrolidin-2-yl-1,3-thiazole
PubChem CID82607317
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name2-methoxy-4-methyl-5-pyrrolidin-2-yl-1,3-thiazole
SMILESCOc1nc(C)c(C2CCCN2)s1
InChIInChI=1S/C9H14N2OS/c1-6-8(7-4-3-5-10-7)13-9(11-6)12-2/h7,10H,3-5H2,1-2H3
InChIKeyWKPAVXPJERWUHX-UHFFFAOYSA-N
XLogP1.88
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-methyl-5-pyrrolidin-2-yl-1,3-thiazole?
The IUPAC name of 2-methoxy-4-methyl-5-pyrrolidin-2-yl-1,3-thiazole (CID 82607317) is 2-methoxy-4-methyl-5-pyrrolidin-2-yl-1,3-thiazole.
What is the SMILES notation for 2-methoxy-4-methyl-5-pyrrolidin-2-yl-1,3-thiazole?
The canonical SMILES for 2-methoxy-4-methyl-5-pyrrolidin-2-yl-1,3-thiazole is COc1nc(C)c(C2CCCN2)s1.
What is the InChIKey of 2-methoxy-4-methyl-5-pyrrolidin-2-yl-1,3-thiazole?
The InChIKey is WKPAVXPJERWUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-6-8(7-4-3-5-10-7)13-9(11-6)12-2/h7,10H,3-5H2,1-2H3.
What are the key properties of 2-methoxy-4-methyl-5-pyrrolidin-2-yl-1,3-thiazole?
2-methoxy-4-methyl-5-pyrrolidin-2-yl-1,3-thiazole has a molecular weight of 198.29 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-methyl-5-pyrrolidin-2-yl-1,3-thiazole is sourced from PubChem (CID 82607317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).