5-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-one

C9H12N2OS — CID 104687195

IUPAC5-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-one
SMILESCc1nc(CC2CCC(=O)N2)cs1
InChIInChI=1S/C9H12N2OS/c1-6-10-8(5-13-6)4-7-2-3-9(12)11-7/h5,7H,2-4H2,1H3,(H,11,12)
InChIKeyIWAMTRPLERDUMX-UHFFFAOYSA-N
MW196.27 g/mol
LogP1.27
Rot. Bonds2

About 5-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-one

5-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-one (PubChem CID 104687195) has the molecular formula C9H12N2OS and a molecular weight of 196.27 g/mol. Its IUPAC name is 5-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-one
PubChem CID104687195
Molecular FormulaC9H12N2OS
Molecular Weight196.27 g/mol
Exact Mass196.07
IUPAC Name5-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-one
SMILESCc1nc(CC2CCC(=O)N2)cs1
InChIInChI=1S/C9H12N2OS/c1-6-10-8(5-13-6)4-7-2-3-9(12)11-7/h5,7H,2-4H2,1H3,(H,11,12)
InChIKeyIWAMTRPLERDUMX-UHFFFAOYSA-N
XLogP1.27
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4S)-1-[(2S)-2-amino-3-(2-methyl-1,3-thiazol-4-yl)propanoyl]-4-fluoropyrrolidine-2-carbonitrile
CID 76314754
2-cyclohexyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 22583816
(2S)-1-acetyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide
CID 53519722
4-(2-methyl-1,3-thiazol-4-yl)-N-[(3S)-2-oxo-1-propan-2-ylpyrrolidin-3-yl]butanamide
CID 164636800
4,4-difluoro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide
CID 120351324
N-(3-amino-2,2-difluoropropyl)-4-(2-methyl-1,3-thiazol-4-yl)butanamide;dihydrochloride
CID 120412248
N-(3-amino-2,2-difluoropropyl)-4-(2-methyl-1,3-thiazol-4-yl)butanamide
CID 120412249
4-(2-methyl-1,3-thiazol-4-yl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]butanamide
CID 126777520
4-(2-methyl-1,3-thiazol-4-yl)-N-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]butanamide
CID 132297991
N-cyclopentyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 23609431
3-Ethyl-4-(1,3-thiazol-4-ylmethyl)pyrrolidin-2-one
CID 19987454
2-(2-methyl-1,3-thiazol-4-yl)-N-propan-2-ylacetamide
CID 47005334

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-one?
The IUPAC name of 5-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-one (CID 104687195) is 5-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-one?
The canonical SMILES for 5-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-one is Cc1nc(CC2CCC(=O)N2)cs1.
What is the InChIKey of 5-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-one?
The InChIKey is IWAMTRPLERDUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2OS/c1-6-10-8(5-13-6)4-7-2-3-9(12)11-7/h5,7H,2-4H2,1H3,(H,11,12).
What are the key properties of 5-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-one?
5-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-one has a molecular weight of 196.27 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 104687195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).