5-[[(3R)-3-methoxypyrrolidin-1-yl]methyl]-2-pyrrolidin-1-yl-1,3-thiazole

C13H21N3OS — CID 99936999

IUPAC5-[[(3R)-3-methoxypyrrolidin-1-yl]methyl]-2-pyrrolidin-1-yl-1,3-thiazole
SMILESCO[C@@H]1CCN(Cc2cnc(N3CCCC3)s2)C1
InChIInChI=1S/C13H21N3OS/c1-17-11-4-7-15(9-11)10-12-8-14-13(18-12)16-5-2-3-6-16/h8,11H,2-7,9-10H2,1H3/t11-/m1/s1
InChIKeyRVTBQNCUEDNLHA-LLVKDONJSA-N
MW267.40 g/mol
LogP1.96
Rot. Bonds4

About 5-[[(3R)-3-methoxypyrrolidin-1-yl]methyl]-2-pyrrolidin-1-yl-1,3-thiazole

5-[[(3R)-3-methoxypyrrolidin-1-yl]methyl]-2-pyrrolidin-1-yl-1,3-thiazole (PubChem CID 99936999) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is 5-[[(3R)-3-methoxypyrrolidin-1-yl]methyl]-2-pyrrolidin-1-yl-1,3-thiazole.

Molecular Properties

Compound Name5-[[(3R)-3-methoxypyrrolidin-1-yl]methyl]-2-pyrrolidin-1-yl-1,3-thiazole
PubChem CID99936999
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name5-[[(3R)-3-methoxypyrrolidin-1-yl]methyl]-2-pyrrolidin-1-yl-1,3-thiazole
SMILESCO[C@@H]1CCN(Cc2cnc(N3CCCC3)s2)C1
InChIInChI=1S/C13H21N3OS/c1-17-11-4-7-15(9-11)10-12-8-14-13(18-12)16-5-2-3-6-16/h8,11H,2-7,9-10H2,1H3/t11-/m1/s1
InChIKeyRVTBQNCUEDNLHA-LLVKDONJSA-N
XLogP1.96
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[(3R)-3-methoxypyrrolidin-1-yl]methyl]-2-pyrrolidin-1-yl-1,3-thiazole?
The IUPAC name of 5-[[(3R)-3-methoxypyrrolidin-1-yl]methyl]-2-pyrrolidin-1-yl-1,3-thiazole (CID 99936999) is 5-[[(3R)-3-methoxypyrrolidin-1-yl]methyl]-2-pyrrolidin-1-yl-1,3-thiazole.
What is the SMILES notation for 5-[[(3R)-3-methoxypyrrolidin-1-yl]methyl]-2-pyrrolidin-1-yl-1,3-thiazole?
The canonical SMILES for 5-[[(3R)-3-methoxypyrrolidin-1-yl]methyl]-2-pyrrolidin-1-yl-1,3-thiazole is CO[C@@H]1CCN(Cc2cnc(N3CCCC3)s2)C1.
What is the InChIKey of 5-[[(3R)-3-methoxypyrrolidin-1-yl]methyl]-2-pyrrolidin-1-yl-1,3-thiazole?
The InChIKey is RVTBQNCUEDNLHA-LLVKDONJSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-17-11-4-7-15(9-11)10-12-8-14-13(18-12)16-5-2-3-6-16/h8,11H,2-7,9-10H2,1H3/t11-/m1/s1.
What are the key properties of 5-[[(3R)-3-methoxypyrrolidin-1-yl]methyl]-2-pyrrolidin-1-yl-1,3-thiazole?
5-[[(3R)-3-methoxypyrrolidin-1-yl]methyl]-2-pyrrolidin-1-yl-1,3-thiazole has a molecular weight of 267.40 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3R)-3-methoxypyrrolidin-1-yl]methyl]-2-pyrrolidin-1-yl-1,3-thiazole is sourced from PubChem (CID 99936999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).