2-[(3R)-3-ethoxypyrrolidin-1-yl]-4-methyl-1,3-thiazole

C10H16N2OS — CID 70955058

IUPAC2-[(3R)-3-ethoxypyrrolidin-1-yl]-4-methyl-1,3-thiazole
SMILESCCO[C@@H]1CCN(c2nc(C)cs2)C1
InChIInChI=1S/C10H16N2OS/c1-3-13-9-4-5-12(6-9)10-11-8(2)7-14-10/h7,9H,3-6H2,1-2H3/t9-/m1/s1
InChIKeyDPSBCCXTHVUBIV-SECBINFHSA-N
MW212.32 g/mol
LogP2.07
Rot. Bonds3

About 2-[(3R)-3-ethoxypyrrolidin-1-yl]-4-methyl-1,3-thiazole

2-[(3R)-3-ethoxypyrrolidin-1-yl]-4-methyl-1,3-thiazole (PubChem CID 70955058) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 2-[(3R)-3-ethoxypyrrolidin-1-yl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-[(3R)-3-ethoxypyrrolidin-1-yl]-4-methyl-1,3-thiazole
PubChem CID70955058
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name2-[(3R)-3-ethoxypyrrolidin-1-yl]-4-methyl-1,3-thiazole
SMILESCCO[C@@H]1CCN(c2nc(C)cs2)C1
InChIInChI=1S/C10H16N2OS/c1-3-13-9-4-5-12(6-9)10-11-8(2)7-14-10/h7,9H,3-6H2,1-2H3/t9-/m1/s1
InChIKeyDPSBCCXTHVUBIV-SECBINFHSA-N
XLogP2.07
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-ethoxypyrrolidin-1-yl]-4-methyl-1,3-thiazole?
The IUPAC name of 2-[(3R)-3-ethoxypyrrolidin-1-yl]-4-methyl-1,3-thiazole (CID 70955058) is 2-[(3R)-3-ethoxypyrrolidin-1-yl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-[(3R)-3-ethoxypyrrolidin-1-yl]-4-methyl-1,3-thiazole?
The canonical SMILES for 2-[(3R)-3-ethoxypyrrolidin-1-yl]-4-methyl-1,3-thiazole is CCO[C@@H]1CCN(c2nc(C)cs2)C1.
What is the InChIKey of 2-[(3R)-3-ethoxypyrrolidin-1-yl]-4-methyl-1,3-thiazole?
The InChIKey is DPSBCCXTHVUBIV-SECBINFHSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-3-13-9-4-5-12(6-9)10-11-8(2)7-14-10/h7,9H,3-6H2,1-2H3/t9-/m1/s1.
What are the key properties of 2-[(3R)-3-ethoxypyrrolidin-1-yl]-4-methyl-1,3-thiazole?
2-[(3R)-3-ethoxypyrrolidin-1-yl]-4-methyl-1,3-thiazole has a molecular weight of 212.32 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-ethoxypyrrolidin-1-yl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 70955058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).