4-(1-methylpyrrolidin-3-yl)-3H-1,3-thiazol-2-one

C8H12N2OS — CID 116966138

IUPAC4-(1-methylpyrrolidin-3-yl)-3H-1,3-thiazol-2-one
SMILESCN1CCC(c2csc(=O)[nH]2)C1
InChIInChI=1S/C8H12N2OS/c1-10-3-2-6(4-10)7-5-12-8(11)9-7/h5-6H,2-4H2,1H3,(H,9,11)
InChIKeyNYHSPDJELGVBJF-UHFFFAOYSA-N
MW184.26 g/mol
LogP0.86
Rot. Bonds1

About 4-(1-methylpyrrolidin-3-yl)-3H-1,3-thiazol-2-one

4-(1-methylpyrrolidin-3-yl)-3H-1,3-thiazol-2-one (PubChem CID 116966138) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is 4-(1-methylpyrrolidin-3-yl)-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-(1-methylpyrrolidin-3-yl)-3H-1,3-thiazol-2-one
PubChem CID116966138
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Name4-(1-methylpyrrolidin-3-yl)-3H-1,3-thiazol-2-one
SMILESCN1CCC(c2csc(=O)[nH]2)C1
InChIInChI=1S/C8H12N2OS/c1-10-3-2-6(4-10)7-5-12-8(11)9-7/h5-6H,2-4H2,1H3,(H,9,11)
InChIKeyNYHSPDJELGVBJF-UHFFFAOYSA-N
XLogP0.86
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpyrrolidin-3-yl)-3H-1,3-thiazol-2-one?
The IUPAC name of 4-(1-methylpyrrolidin-3-yl)-3H-1,3-thiazol-2-one (CID 116966138) is 4-(1-methylpyrrolidin-3-yl)-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-(1-methylpyrrolidin-3-yl)-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-(1-methylpyrrolidin-3-yl)-3H-1,3-thiazol-2-one is CN1CCC(c2csc(=O)[nH]2)C1.
What is the InChIKey of 4-(1-methylpyrrolidin-3-yl)-3H-1,3-thiazol-2-one?
The InChIKey is NYHSPDJELGVBJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c1-10-3-2-6(4-10)7-5-12-8(11)9-7/h5-6H,2-4H2,1H3,(H,9,11).
What are the key properties of 4-(1-methylpyrrolidin-3-yl)-3H-1,3-thiazol-2-one?
4-(1-methylpyrrolidin-3-yl)-3H-1,3-thiazol-2-one has a molecular weight of 184.26 g/mol, XLogP of 0.86, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpyrrolidin-3-yl)-3H-1,3-thiazol-2-one is sourced from PubChem (CID 116966138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).