5-[[(3S)-3-methoxypyrrolidin-1-yl]methyl]-2,4-dimethyl-1,3-thiazole

C11H18N2OS — CID 164630742

IUPAC5-[[(3S)-3-methoxypyrrolidin-1-yl]methyl]-2,4-dimethyl-1,3-thiazole
SMILESCO[C@H]1CCN(Cc2sc(C)nc2C)C1
InChIInChI=1S/C11H18N2OS/c1-8-11(15-9(2)12-8)7-13-5-4-10(6-13)14-3/h10H,4-7H2,1-3H3/t10-/m0/s1
InChIKeyVTQJWDLOFMGFAL-JTQLQIEISA-N
MW226.34 g/mol
LogP1.98
Rot. Bonds3

About 5-[[(3S)-3-methoxypyrrolidin-1-yl]methyl]-2,4-dimethyl-1,3-thiazole

5-[[(3S)-3-methoxypyrrolidin-1-yl]methyl]-2,4-dimethyl-1,3-thiazole (PubChem CID 164630742) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 5-[[(3S)-3-methoxypyrrolidin-1-yl]methyl]-2,4-dimethyl-1,3-thiazole.

Molecular Properties

Compound Name5-[[(3S)-3-methoxypyrrolidin-1-yl]methyl]-2,4-dimethyl-1,3-thiazole
PubChem CID164630742
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name5-[[(3S)-3-methoxypyrrolidin-1-yl]methyl]-2,4-dimethyl-1,3-thiazole
SMILESCO[C@H]1CCN(Cc2sc(C)nc2C)C1
InChIInChI=1S/C11H18N2OS/c1-8-11(15-9(2)12-8)7-13-5-4-10(6-13)14-3/h10H,4-7H2,1-3H3/t10-/m0/s1
InChIKeyVTQJWDLOFMGFAL-JTQLQIEISA-N
XLogP1.98
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[(3S)-3-methoxypyrrolidin-1-yl]methyl]-2,4-dimethyl-1,3-thiazole?
The IUPAC name of 5-[[(3S)-3-methoxypyrrolidin-1-yl]methyl]-2,4-dimethyl-1,3-thiazole (CID 164630742) is 5-[[(3S)-3-methoxypyrrolidin-1-yl]methyl]-2,4-dimethyl-1,3-thiazole.
What is the SMILES notation for 5-[[(3S)-3-methoxypyrrolidin-1-yl]methyl]-2,4-dimethyl-1,3-thiazole?
The canonical SMILES for 5-[[(3S)-3-methoxypyrrolidin-1-yl]methyl]-2,4-dimethyl-1,3-thiazole is CO[C@H]1CCN(Cc2sc(C)nc2C)C1.
What is the InChIKey of 5-[[(3S)-3-methoxypyrrolidin-1-yl]methyl]-2,4-dimethyl-1,3-thiazole?
The InChIKey is VTQJWDLOFMGFAL-JTQLQIEISA-N. The full InChI is InChI=1S/C11H18N2OS/c1-8-11(15-9(2)12-8)7-13-5-4-10(6-13)14-3/h10H,4-7H2,1-3H3/t10-/m0/s1.
What are the key properties of 5-[[(3S)-3-methoxypyrrolidin-1-yl]methyl]-2,4-dimethyl-1,3-thiazole?
5-[[(3S)-3-methoxypyrrolidin-1-yl]methyl]-2,4-dimethyl-1,3-thiazole has a molecular weight of 226.34 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3S)-3-methoxypyrrolidin-1-yl]methyl]-2,4-dimethyl-1,3-thiazole is sourced from PubChem (CID 164630742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).