4,5-dimethyl-3-(pyrrolidin-3-ylmethyl)-1,3-thiazol-2-one

C10H16N2OS — CID 63312428

IUPAC4,5-dimethyl-3-(pyrrolidin-3-ylmethyl)-1,3-thiazol-2-one
SMILESCc1sc(=O)n(CC2CCNC2)c1C
InChIInChI=1S/C10H16N2OS/c1-7-8(2)14-10(13)12(7)6-9-3-4-11-5-9/h9,11H,3-6H2,1-2H3
InChIKeyFZZXFEJQBLGSAS-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.14
Rot. Bonds2

About 4,5-dimethyl-3-(pyrrolidin-3-ylmethyl)-1,3-thiazol-2-one

4,5-dimethyl-3-(pyrrolidin-3-ylmethyl)-1,3-thiazol-2-one (PubChem CID 63312428) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 4,5-dimethyl-3-(pyrrolidin-3-ylmethyl)-1,3-thiazol-2-one.

Molecular Properties

Compound Name4,5-dimethyl-3-(pyrrolidin-3-ylmethyl)-1,3-thiazol-2-one
PubChem CID63312428
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name4,5-dimethyl-3-(pyrrolidin-3-ylmethyl)-1,3-thiazol-2-one
SMILESCc1sc(=O)n(CC2CCNC2)c1C
InChIInChI=1S/C10H16N2OS/c1-7-8(2)14-10(13)12(7)6-9-3-4-11-5-9/h9,11H,3-6H2,1-2H3
InChIKeyFZZXFEJQBLGSAS-UHFFFAOYSA-N
XLogP1.14
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-3-(pyrrolidin-3-ylmethyl)-1,3-thiazol-2-one?
The IUPAC name of 4,5-dimethyl-3-(pyrrolidin-3-ylmethyl)-1,3-thiazol-2-one (CID 63312428) is 4,5-dimethyl-3-(pyrrolidin-3-ylmethyl)-1,3-thiazol-2-one.
What is the SMILES notation for 4,5-dimethyl-3-(pyrrolidin-3-ylmethyl)-1,3-thiazol-2-one?
The canonical SMILES for 4,5-dimethyl-3-(pyrrolidin-3-ylmethyl)-1,3-thiazol-2-one is Cc1sc(=O)n(CC2CCNC2)c1C.
What is the InChIKey of 4,5-dimethyl-3-(pyrrolidin-3-ylmethyl)-1,3-thiazol-2-one?
The InChIKey is FZZXFEJQBLGSAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-7-8(2)14-10(13)12(7)6-9-3-4-11-5-9/h9,11H,3-6H2,1-2H3.
What are the key properties of 4,5-dimethyl-3-(pyrrolidin-3-ylmethyl)-1,3-thiazol-2-one?
4,5-dimethyl-3-(pyrrolidin-3-ylmethyl)-1,3-thiazol-2-one has a molecular weight of 212.32 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-3-(pyrrolidin-3-ylmethyl)-1,3-thiazol-2-one is sourced from PubChem (CID 63312428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).