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

C8H10N2OS — CID 104679273

IUPAC3-(1,3-thiazol-4-ylmethyl)pyrrolidin-2-one
SMILESO=C1NCCC1Cc1cscn1
InChIInChI=1S/C8H10N2OS/c11-8-6(1-2-9-8)3-7-4-12-5-10-7/h4-6H,1-3H2,(H,9,11)
InChIKeyROZAJEQNHTVNJA-UHFFFAOYSA-N
MW182.25 g/mol
LogP0.82
Rot. Bonds2

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

3-(1,3-thiazol-4-ylmethyl)pyrrolidin-2-one (PubChem CID 104679273) has the molecular formula C8H10N2OS and a molecular weight of 182.25 g/mol. Its IUPAC name is 3-(1,3-thiazol-4-ylmethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-(1,3-thiazol-4-ylmethyl)pyrrolidin-2-one
PubChem CID104679273
Molecular FormulaC8H10N2OS
Molecular Weight182.25 g/mol
Exact Mass182.05
IUPAC Name3-(1,3-thiazol-4-ylmethyl)pyrrolidin-2-one
SMILESO=C1NCCC1Cc1cscn1
InChIInChI=1S/C8H10N2OS/c11-8-6(1-2-9-8)3-7-4-12-5-10-7/h4-6H,1-3H2,(H,9,11)
InChIKeyROZAJEQNHTVNJA-UHFFFAOYSA-N
XLogP0.82
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.25
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1,3-thiazol-4-ylmethylamino)azepan-2-one
CID 47350091
4-(cyclopentylmethyl)-1,3-thiazole
CID 174863673
2-(1,3-thiazol-4-ylmethyl)-3,4-dihydro-2H-naphthalen-1-one
CID 79428825
2,2-dimethyl-4-(1,3-thiazol-4-ylmethyl)oxolan-3-one
CID 130927246
4-phenyl-2-(1,3-thiazol-4-ylmethyl)cyclohexan-1-one
CID 79417686
3-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-one
CID 104679282
4-[methyl(1,3-thiazol-4-ylmethyl)amino]cyclohexan-1-one
CID 79120259
(3S)-3-(cyclopropylmethyl)pyrrolidin-2-one
CID 129360656
3-[(2,6-dimethylphenyl)methyl]pyrrolidin-2-one
CID 70966416
3-[(1,3-diethylpyrazol-5-yl)methyl]pyrrolidin-2-one
CID 104679348
4-(cyclobutylmethyl)-1,3-thiazole;formohydrazide
CID 174863680
3-(aminomethyl)pyrrolidin-2-one;hydrochloride
CID 77340123

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-thiazol-4-ylmethyl)pyrrolidin-2-one?
The IUPAC name of 3-(1,3-thiazol-4-ylmethyl)pyrrolidin-2-one (CID 104679273) is 3-(1,3-thiazol-4-ylmethyl)pyrrolidin-2-one.
What is the SMILES notation for 3-(1,3-thiazol-4-ylmethyl)pyrrolidin-2-one?
The canonical SMILES for 3-(1,3-thiazol-4-ylmethyl)pyrrolidin-2-one is O=C1NCCC1Cc1cscn1.
What is the InChIKey of 3-(1,3-thiazol-4-ylmethyl)pyrrolidin-2-one?
The InChIKey is ROZAJEQNHTVNJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2OS/c11-8-6(1-2-9-8)3-7-4-12-5-10-7/h4-6H,1-3H2,(H,9,11).
What are the key properties of 3-(1,3-thiazol-4-ylmethyl)pyrrolidin-2-one?
3-(1,3-thiazol-4-ylmethyl)pyrrolidin-2-one has a molecular weight of 182.25 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-thiazol-4-ylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 104679273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).