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

C12H21N3OS — CID 106381825

IUPAC4-[[(2-propylpyrrolidin-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one
SMILESCCCC1(CNCc2csc(=O)[nH]2)CCCN1
InChIInChI=1S/C12H21N3OS/c1-2-4-12(5-3-6-14-12)9-13-7-10-8-17-11(16)15-10/h8,13-14H,2-7,9H2,1H3,(H,15,16)
InChIKeyCGUSXLYANVGIQC-UHFFFAOYSA-N
MW255.39 g/mol
LogP1.45
Rot. Bonds6

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

4-[[(2-propylpyrrolidin-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106381825) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is 4-[[(2-propylpyrrolidin-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[(2-propylpyrrolidin-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106381825
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name4-[[(2-propylpyrrolidin-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one
SMILESCCCC1(CNCc2csc(=O)[nH]2)CCCN1
InChIInChI=1S/C12H21N3OS/c1-2-4-12(5-3-6-14-12)9-13-7-10-8-17-11(16)15-10/h8,13-14H,2-7,9H2,1H3,(H,15,16)
InChIKeyCGUSXLYANVGIQC-UHFFFAOYSA-N
XLogP1.45
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[(2-propylpyrrolidin-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[(2-propylpyrrolidin-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one (CID 106381825) is 4-[[(2-propylpyrrolidin-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[(2-propylpyrrolidin-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[(2-propylpyrrolidin-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one is CCCC1(CNCc2csc(=O)[nH]2)CCCN1.
What is the InChIKey of 4-[[(2-propylpyrrolidin-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is CGUSXLYANVGIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-2-4-12(5-3-6-14-12)9-13-7-10-8-17-11(16)15-10/h8,13-14H,2-7,9H2,1H3,(H,15,16).
What are the key properties of 4-[[(2-propylpyrrolidin-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one?
4-[[(2-propylpyrrolidin-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 255.39 g/mol, XLogP of 1.45, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-propylpyrrolidin-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106381825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).