2-[[(3R)-4-tert-butyl-1-methylpyrrolidin-3-yl]oxymethyl]-1,3-thiazole

C13H22N2OS — CID 175634884

IUPAC2-[[(3R)-4-tert-butyl-1-methylpyrrolidin-3-yl]oxymethyl]-1,3-thiazole
SMILESCN1CC(C(C)(C)C)[C@@H](OCc2nccs2)C1
InChIInChI=1S/C13H22N2OS/c1-13(2,3)10-7-15(4)8-11(10)16-9-12-14-5-6-17-12/h5-6,10-11H,7-9H2,1-4H3/t10?,11-/m0/s1
InChIKeySNCXCLDKFVQJJU-DTIOYNMSSA-N
MW254.40 g/mol
LogP2.64
Rot. Bonds3

About 2-[[(3R)-4-tert-butyl-1-methylpyrrolidin-3-yl]oxymethyl]-1,3-thiazole

2-[[(3R)-4-tert-butyl-1-methylpyrrolidin-3-yl]oxymethyl]-1,3-thiazole (PubChem CID 175634884) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is 2-[[(3R)-4-tert-butyl-1-methylpyrrolidin-3-yl]oxymethyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[[(3R)-4-tert-butyl-1-methylpyrrolidin-3-yl]oxymethyl]-1,3-thiazole
PubChem CID175634884
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name2-[[(3R)-4-tert-butyl-1-methylpyrrolidin-3-yl]oxymethyl]-1,3-thiazole
SMILESCN1CC(C(C)(C)C)[C@@H](OCc2nccs2)C1
InChIInChI=1S/C13H22N2OS/c1-13(2,3)10-7-15(4)8-11(10)16-9-12-14-5-6-17-12/h5-6,10-11H,7-9H2,1-4H3/t10?,11-/m0/s1
InChIKeySNCXCLDKFVQJJU-DTIOYNMSSA-N
XLogP2.64
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[(3R)-4-tert-butyl-1-methylpyrrolidin-3-yl]oxymethyl]-1,3-thiazole?
The IUPAC name of 2-[[(3R)-4-tert-butyl-1-methylpyrrolidin-3-yl]oxymethyl]-1,3-thiazole (CID 175634884) is 2-[[(3R)-4-tert-butyl-1-methylpyrrolidin-3-yl]oxymethyl]-1,3-thiazole.
What is the SMILES notation for 2-[[(3R)-4-tert-butyl-1-methylpyrrolidin-3-yl]oxymethyl]-1,3-thiazole?
The canonical SMILES for 2-[[(3R)-4-tert-butyl-1-methylpyrrolidin-3-yl]oxymethyl]-1,3-thiazole is CN1CC(C(C)(C)C)[C@@H](OCc2nccs2)C1.
What is the InChIKey of 2-[[(3R)-4-tert-butyl-1-methylpyrrolidin-3-yl]oxymethyl]-1,3-thiazole?
The InChIKey is SNCXCLDKFVQJJU-DTIOYNMSSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-13(2,3)10-7-15(4)8-11(10)16-9-12-14-5-6-17-12/h5-6,10-11H,7-9H2,1-4H3/t10?,11-/m0/s1.
What are the key properties of 2-[[(3R)-4-tert-butyl-1-methylpyrrolidin-3-yl]oxymethyl]-1,3-thiazole?
2-[[(3R)-4-tert-butyl-1-methylpyrrolidin-3-yl]oxymethyl]-1,3-thiazole has a molecular weight of 254.40 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R)-4-tert-butyl-1-methylpyrrolidin-3-yl]oxymethyl]-1,3-thiazole is sourced from PubChem (CID 175634884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).