4-(3-methylpyrrolidine-1-carbonyl)-3H-1,3-thiazol-2-one

C9H12N2O2S — CID 127895292

IUPAC4-(3-methylpyrrolidine-1-carbonyl)-3H-1,3-thiazol-2-one
SMILESCC1CCN(C(=O)c2csc(=O)[nH]2)C1
InChIInChI=1S/C9H12N2O2S/c1-6-2-3-11(4-6)8(12)7-5-14-9(13)10-7/h5-6H,2-4H2,1H3,(H,10,13)
InChIKeyLAIRIBMUZXLZQT-UHFFFAOYSA-N
MW212.27 g/mol
LogP0.92
Rot. Bonds1

About 4-(3-methylpyrrolidine-1-carbonyl)-3H-1,3-thiazol-2-one

4-(3-methylpyrrolidine-1-carbonyl)-3H-1,3-thiazol-2-one (PubChem CID 127895292) has the molecular formula C9H12N2O2S and a molecular weight of 212.27 g/mol. Its IUPAC name is 4-(3-methylpyrrolidine-1-carbonyl)-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-(3-methylpyrrolidine-1-carbonyl)-3H-1,3-thiazol-2-one
PubChem CID127895292
Molecular FormulaC9H12N2O2S
Molecular Weight212.27 g/mol
Exact Mass212.06
IUPAC Name4-(3-methylpyrrolidine-1-carbonyl)-3H-1,3-thiazol-2-one
SMILESCC1CCN(C(=O)c2csc(=O)[nH]2)C1
InChIInChI=1S/C9H12N2O2S/c1-6-2-3-11(4-6)8(12)7-5-14-9(13)10-7/h5-6H,2-4H2,1H3,(H,10,13)
InChIKeyLAIRIBMUZXLZQT-UHFFFAOYSA-N
XLogP0.92
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-3H-1,3-thiazol-2-one
CID 166394299
1H-imidazol-5-yl-[(3R)-3-methylpyrrolidin-1-yl]methanone
CID 89293635
4-[2-(2-fluorophenyl)morpholine-4-carbonyl]-3H-1,3-thiazol-2-one
CID 136532193
[(3S)-3-methylpyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 143704110
(3-bromothiophen-2-yl)-(3-methylpyrrolidin-1-yl)methanone
CID 62613244
5-(4-methylpiperidine-1-carbonyl)-1,2-dihydropyrazol-3-one
CID 112513810
[4-(dimethylamino)phenyl]-[(3S)-3-methylpyrrolidin-1-yl]methanone
CID 143704311
5-chloro-2-[methyl-[1-(2-oxo-3H-1,3-thiazole-4-carbonyl)piperidin-3-yl]amino]-1,3-thiazole-4-carbonitrile
CID 138007203
3-methyl-4-(3-methylpyrrolidine-1-carbonyl)thiophene-2-sulfonyl chloride
CID 79808382
(5-chlorothiophen-2-yl)-(3-methylpyrrolidin-1-yl)methanone
CID 128961505
(3,4-difluorophenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 110749741
(4-cyclohexylphenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 86877330

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylpyrrolidine-1-carbonyl)-3H-1,3-thiazol-2-one?
The IUPAC name of 4-(3-methylpyrrolidine-1-carbonyl)-3H-1,3-thiazol-2-one (CID 127895292) is 4-(3-methylpyrrolidine-1-carbonyl)-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-(3-methylpyrrolidine-1-carbonyl)-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-(3-methylpyrrolidine-1-carbonyl)-3H-1,3-thiazol-2-one is CC1CCN(C(=O)c2csc(=O)[nH]2)C1.
What is the InChIKey of 4-(3-methylpyrrolidine-1-carbonyl)-3H-1,3-thiazol-2-one?
The InChIKey is LAIRIBMUZXLZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2S/c1-6-2-3-11(4-6)8(12)7-5-14-9(13)10-7/h5-6H,2-4H2,1H3,(H,10,13).
What are the key properties of 4-(3-methylpyrrolidine-1-carbonyl)-3H-1,3-thiazol-2-one?
4-(3-methylpyrrolidine-1-carbonyl)-3H-1,3-thiazol-2-one has a molecular weight of 212.27 g/mol, XLogP of 0.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylpyrrolidine-1-carbonyl)-3H-1,3-thiazol-2-one is sourced from PubChem (CID 127895292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).