N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)propanamide

C12H17N3O3S — CID 110685500

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)propanamide
SMILESCc1nc(NC(=O)CCC2CN(C)C(=O)O2)sc1C
InChIInChI=1S/C12H17N3O3S/c1-7-8(2)19-11(13-7)14-10(16)5-4-9-6-15(3)12(17)18-9/h9H,4-6H2,1-3H3,(H,13,14,16)
InChIKeyJBIWJEKZXMYVLG-UHFFFAOYSA-N
MW283.35 g/mol
LogP1.93
Rot. Bonds4

About N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)propanamide

N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)propanamide (PubChem CID 110685500) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)propanamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)propanamide
PubChem CID110685500
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)propanamide
SMILESCc1nc(NC(=O)CCC2CN(C)C(=O)O2)sc1C
InChIInChI=1S/C12H17N3O3S/c1-7-8(2)19-11(13-7)14-10(16)5-4-9-6-15(3)12(17)18-9/h9H,4-6H2,1-3H3,(H,13,14,16)
InChIKeyJBIWJEKZXMYVLG-UHFFFAOYSA-N
XLogP1.93
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 110685499
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(oxolan-2-yl)propanamide
CID 51077970
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide
CID 47378573
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)propanamide
CID 6462954
3-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)-N-(4-propan-2-ylphenyl)propanamide
CID 110685427
N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-hydroxybutanamide
CID 79193438
N-(4,5-dimethyl-1,3-thiazol-2-yl)pentanamide
CID 5181179
ethyl 4-[3-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)propanoyl]piperazine-1-carboxylate
CID 110685384
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1-methylpyrazol-4-yl)propanamide
CID 35536420
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
CID 17400254
3-[butyl(methyl)amino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide
CID 108795401
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-phenylpropanamide
CID 733834

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)propanamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)propanamide (CID 110685500) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)propanamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)propanamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)propanamide is Cc1nc(NC(=O)CCC2CN(C)C(=O)O2)sc1C.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)propanamide?
The InChIKey is JBIWJEKZXMYVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-7-8(2)19-11(13-7)14-10(16)5-4-9-6-15(3)12(17)18-9/h9H,4-6H2,1-3H3,(H,13,14,16).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)propanamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)propanamide has a molecular weight of 283.35 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)propanamide is sourced from PubChem (CID 110685500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).