2,2-dimethyl-3-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]propanamide

C12H19N3O3S — CID 86996718

IUPAC2,2-dimethyl-3-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]propanamide
SMILESCc1csc(=O)n1CCC(=O)NCC(C)(C)C(N)=O
InChIInChI=1S/C12H19N3O3S/c1-8-6-19-11(18)15(8)5-4-9(16)14-7-12(2,3)10(13)17/h6H,4-5,7H2,1-3H3,(H2,13,17)(H,14,16)
InChIKeyMZNPWQUIMOZUIV-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.24
Rot. Bonds6

About 2,2-dimethyl-3-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]propanamide

2,2-dimethyl-3-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]propanamide (PubChem CID 86996718) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 2,2-dimethyl-3-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-3-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]propanamide
PubChem CID86996718
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name2,2-dimethyl-3-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]propanamide
SMILESCc1csc(=O)n1CCC(=O)NCC(C)(C)C(N)=O
InChIInChI=1S/C12H19N3O3S/c1-8-6-19-11(18)15(8)5-4-9(16)14-7-12(2,3)10(13)17/h6H,4-5,7H2,1-3H3,(H2,13,17)(H,14,16)
InChIKeyMZNPWQUIMOZUIV-UHFFFAOYSA-N
XLogP0.24
TPSA94.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]propanamide?
The IUPAC name of 2,2-dimethyl-3-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]propanamide (CID 86996718) is 2,2-dimethyl-3-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]propanamide.
What is the SMILES notation for 2,2-dimethyl-3-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]propanamide?
The canonical SMILES for 2,2-dimethyl-3-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]propanamide is Cc1csc(=O)n1CCC(=O)NCC(C)(C)C(N)=O.
What is the InChIKey of 2,2-dimethyl-3-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]propanamide?
The InChIKey is MZNPWQUIMOZUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-8-6-19-11(18)15(8)5-4-9(16)14-7-12(2,3)10(13)17/h6H,4-5,7H2,1-3H3,(H2,13,17)(H,14,16).
What are the key properties of 2,2-dimethyl-3-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]propanamide?
2,2-dimethyl-3-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]propanamide has a molecular weight of 285.37 g/mol, XLogP of 0.24, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]propanamide is sourced from PubChem (CID 86996718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).