3-(pyrrolidin-3-ylmethyl)-1,3-thiazol-2-one

C8H12N2OS — CID 63312451

IUPAC3-(pyrrolidin-3-ylmethyl)-1,3-thiazol-2-one
SMILESO=c1sccn1CC1CCNC1
InChIInChI=1S/C8H12N2OS/c11-8-10(3-4-12-8)6-7-1-2-9-5-7/h3-4,7,9H,1-2,5-6H2
InChIKeyZMMWDDNWQUJZOL-UHFFFAOYSA-N
MW184.26 g/mol
LogP0.52
Rot. Bonds2

About 3-(pyrrolidin-3-ylmethyl)-1,3-thiazol-2-one

3-(pyrrolidin-3-ylmethyl)-1,3-thiazol-2-one (PubChem CID 63312451) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is 3-(pyrrolidin-3-ylmethyl)-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-(pyrrolidin-3-ylmethyl)-1,3-thiazol-2-one
PubChem CID63312451
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Name3-(pyrrolidin-3-ylmethyl)-1,3-thiazol-2-one
SMILESO=c1sccn1CC1CCNC1
InChIInChI=1S/C8H12N2OS/c11-8-10(3-4-12-8)6-7-1-2-9-5-7/h3-4,7,9H,1-2,5-6H2
InChIKeyZMMWDDNWQUJZOL-UHFFFAOYSA-N
XLogP0.52
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(pyrrolidin-3-ylmethyl)-1,3-thiazol-2-one?
The IUPAC name of 3-(pyrrolidin-3-ylmethyl)-1,3-thiazol-2-one (CID 63312451) is 3-(pyrrolidin-3-ylmethyl)-1,3-thiazol-2-one.
What is the SMILES notation for 3-(pyrrolidin-3-ylmethyl)-1,3-thiazol-2-one?
The canonical SMILES for 3-(pyrrolidin-3-ylmethyl)-1,3-thiazol-2-one is O=c1sccn1CC1CCNC1.
What is the InChIKey of 3-(pyrrolidin-3-ylmethyl)-1,3-thiazol-2-one?
The InChIKey is ZMMWDDNWQUJZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c11-8-10(3-4-12-8)6-7-1-2-9-5-7/h3-4,7,9H,1-2,5-6H2.
What are the key properties of 3-(pyrrolidin-3-ylmethyl)-1,3-thiazol-2-one?
3-(pyrrolidin-3-ylmethyl)-1,3-thiazol-2-one has a molecular weight of 184.26 g/mol, XLogP of 0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyrrolidin-3-ylmethyl)-1,3-thiazol-2-one is sourced from PubChem (CID 63312451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).