4-[[(4-methoxypyrrolidin-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one

C10H17N3O2S — CID 106381808

IUPAC4-[[(4-methoxypyrrolidin-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one
SMILESCOC1CNC(CNCc2csc(=O)[nH]2)C1
InChIInChI=1S/C10H17N3O2S/c1-15-9-2-7(12-5-9)3-11-4-8-6-16-10(14)13-8/h6-7,9,11-12H,2-5H2,1H3,(H,13,14)
InChIKeyVZEOOFIMIFAXTM-UHFFFAOYSA-N
MW243.33 g/mol
LogP-0.10
Rot. Bonds5

About 4-[[(4-methoxypyrrolidin-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one

4-[[(4-methoxypyrrolidin-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106381808) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is 4-[[(4-methoxypyrrolidin-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[(4-methoxypyrrolidin-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106381808
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Name4-[[(4-methoxypyrrolidin-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one
SMILESCOC1CNC(CNCc2csc(=O)[nH]2)C1
InChIInChI=1S/C10H17N3O2S/c1-15-9-2-7(12-5-9)3-11-4-8-6-16-10(14)13-8/h6-7,9,11-12H,2-5H2,1H3,(H,13,14)
InChIKeyVZEOOFIMIFAXTM-UHFFFAOYSA-N
XLogP-0.10
TPSA66.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[(4-methoxypyrrolidin-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[(4-methoxypyrrolidin-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one (CID 106381808) is 4-[[(4-methoxypyrrolidin-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[(4-methoxypyrrolidin-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[(4-methoxypyrrolidin-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one is COC1CNC(CNCc2csc(=O)[nH]2)C1.
What is the InChIKey of 4-[[(4-methoxypyrrolidin-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is VZEOOFIMIFAXTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-15-9-2-7(12-5-9)3-11-4-8-6-16-10(14)13-8/h6-7,9,11-12H,2-5H2,1H3,(H,13,14).
What are the key properties of 4-[[(4-methoxypyrrolidin-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one?
4-[[(4-methoxypyrrolidin-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 243.33 g/mol, XLogP of -0.10, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-methoxypyrrolidin-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106381808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).