4,4-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2-oxazolidin-3-one

C10H14N2O2S — CID 134092707

IUPAC4,4-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2-oxazolidin-3-one
SMILESCc1nc(CN2OCC(C)(C)C2=O)cs1
InChIInChI=1S/C10H14N2O2S/c1-7-11-8(5-15-7)4-12-9(13)10(2,3)6-14-12/h5H,4,6H2,1-3H3
InChIKeyHMIQNIXBRQWTFX-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.75
Rot. Bonds2

About 4,4-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2-oxazolidin-3-one

4,4-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2-oxazolidin-3-one (PubChem CID 134092707) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is 4,4-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2-oxazolidin-3-one.

Molecular Properties

Compound Name4,4-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2-oxazolidin-3-one
PubChem CID134092707
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Name4,4-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2-oxazolidin-3-one
SMILESCc1nc(CN2OCC(C)(C)C2=O)cs1
InChIInChI=1S/C10H14N2O2S/c1-7-11-8(5-15-7)4-12-9(13)10(2,3)6-14-12/h5H,4,6H2,1-3H3
InChIKeyHMIQNIXBRQWTFX-UHFFFAOYSA-N
XLogP1.75
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-1-[(3S)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1,2-oxazolidin-2-yl]propan-1-one
CID 129188912
N-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-3-hydroxy-2-(hydroxymethyl)-N,2-dimethylpropanamide
CID 128994573
4,4-Dimethyl-2-(1,3-thiazol-4-ylmethyl)-1,2-oxazolidin-3-one
CID 19987501
2-(1,3-Thiazol-4-ylmethyl)-1,2-oxazolidin-3-one
CID 19987513
N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide
CID 61948065
N,2,2-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide
CID 52774246
1-[4-[(2-Ethyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]-3-methoxypropan-1-one
CID 53623442
3-(2,2-dimethylpropanoyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide
CID 72021594
3-Methoxy-1-[2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 73440150
(4R)-3-(2,2-dimethylpropanoyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide
CID 96476244
(4S)-3-(2,2-dimethylpropanoyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide
CID 96476245
[2-(Aminomethyl)-1,3-thiazol-4-yl]-(1,2-oxazolidin-2-yl)methanone
CID 104102748

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2-oxazolidin-3-one?
The IUPAC name of 4,4-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2-oxazolidin-3-one (CID 134092707) is 4,4-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2-oxazolidin-3-one.
What is the SMILES notation for 4,4-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2-oxazolidin-3-one?
The canonical SMILES for 4,4-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2-oxazolidin-3-one is Cc1nc(CN2OCC(C)(C)C2=O)cs1.
What is the InChIKey of 4,4-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2-oxazolidin-3-one?
The InChIKey is HMIQNIXBRQWTFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-7-11-8(5-15-7)4-12-9(13)10(2,3)6-14-12/h5H,4,6H2,1-3H3.
What are the key properties of 4,4-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2-oxazolidin-3-one?
4,4-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2-oxazolidin-3-one has a molecular weight of 226.30 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2-oxazolidin-3-one is sourced from PubChem (CID 134092707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).