2-(2,4-dimethylpyrrolidin-1-yl)-1,3-thiazol-4-one

C9H14N2OS — CID 126975805

IUPAC2-(2,4-dimethylpyrrolidin-1-yl)-1,3-thiazol-4-one
SMILESCC1CC(C)N(C2=NC(=O)CS2)C1
InChIInChI=1S/C9H14N2OS/c1-6-3-7(2)11(4-6)9-10-8(12)5-13-9/h6-7H,3-5H2,1-2H3
InChIKeyVXHVLJBEBZOORG-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.35
Rot. Bonds

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

2-(2,4-dimethylpyrrolidin-1-yl)-1,3-thiazol-4-one (PubChem CID 126975805) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 2-(2,4-dimethylpyrrolidin-1-yl)-1,3-thiazol-4-one.

Molecular Properties

Compound Name2-(2,4-dimethylpyrrolidin-1-yl)-1,3-thiazol-4-one
PubChem CID126975805
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name2-(2,4-dimethylpyrrolidin-1-yl)-1,3-thiazol-4-one
SMILESCC1CC(C)N(C2=NC(=O)CS2)C1
InChIInChI=1S/C9H14N2OS/c1-6-3-7(2)11(4-6)9-10-8(12)5-13-9/h6-7H,3-5H2,1-2H3
InChIKeyVXHVLJBEBZOORG-UHFFFAOYSA-N
XLogP1.35
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2,4-dimethylpyrrolidin-1-yl)-1,2-thiazol-3-amine
CID 103365807
2-(2,4-dimethylpyrrolidin-1-yl)-3-fluoropyridine-4-carboxylic acid
CID 105382715
5-bromo-2-(2,4-dimethylpyrrolidin-1-yl)-4-methoxypyrimidine
CID 103749930
5-bromo-2-(2,4-dimethylpyrrolidin-1-yl)benzoic acid
CID 114896030
7-methyl-1,5-dithiocan-3-one
CID 20686902
3-(2,4-dimethylpyrrolidin-1-yl)-N'-hydroxy-5,6-dimethylpyridazine-4-carboximidamide
CID 136820485
4-(2,4-dimethylpyrrolidin-1-yl)benzonitrile
CID 115644097
6-bromo-2-(2,4-dimethylpyrrolidin-1-yl)pyrimidin-4-amine
CID 116797521
2-amino-1,3-thiazol-4-one;hydrochloride
CID 2782348
(2S)-1,2,4-trimethylpyrrolidine
CID 59864868
ethyl 5-acetyl-2-(2,4-dimethylpyrrolidin-1-yl)-1,3-thiazole-4-carboxylate
CID 107378405
1-[5-(2,4-dimethylpyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
CID 106965550

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylpyrrolidin-1-yl)-1,3-thiazol-4-one?
The IUPAC name of 2-(2,4-dimethylpyrrolidin-1-yl)-1,3-thiazol-4-one (CID 126975805) is 2-(2,4-dimethylpyrrolidin-1-yl)-1,3-thiazol-4-one.
What is the SMILES notation for 2-(2,4-dimethylpyrrolidin-1-yl)-1,3-thiazol-4-one?
The canonical SMILES for 2-(2,4-dimethylpyrrolidin-1-yl)-1,3-thiazol-4-one is CC1CC(C)N(C2=NC(=O)CS2)C1.
What is the InChIKey of 2-(2,4-dimethylpyrrolidin-1-yl)-1,3-thiazol-4-one?
The InChIKey is VXHVLJBEBZOORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-6-3-7(2)11(4-6)9-10-8(12)5-13-9/h6-7H,3-5H2,1-2H3.
What are the key properties of 2-(2,4-dimethylpyrrolidin-1-yl)-1,3-thiazol-4-one?
2-(2,4-dimethylpyrrolidin-1-yl)-1,3-thiazol-4-one has a molecular weight of 198.29 g/mol, XLogP of 1.35, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylpyrrolidin-1-yl)-1,3-thiazol-4-one is sourced from PubChem (CID 126975805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).