(2S)-N-methyl-2-[methyl-(2-oxo-5H-1,3-thiazol-4-yl)amino]propanamide

C8H13N3O2S — CID 89440619

IUPAC(2S)-N-methyl-2-[methyl-(2-oxo-5H-1,3-thiazol-4-yl)amino]propanamide
SMILESCNC(=O)[C@H](C)N(C)C1=NC(=O)SC1
InChIInChI=1S/C8H13N3O2S/c1-5(7(12)9-2)11(3)6-4-14-8(13)10-6/h5H,4H2,1-3H3,(H,9,12)/t5-/m0/s1
InChIKeyHKNQGUMPWFRTDF-YFKPBYRVSA-N
MW215.28 g/mol
LogP0.32
Rot. Bonds2

About (2S)-N-methyl-2-[methyl-(2-oxo-5H-1,3-thiazol-4-yl)amino]propanamide

(2S)-N-methyl-2-[methyl-(2-oxo-5H-1,3-thiazol-4-yl)amino]propanamide (PubChem CID 89440619) has the molecular formula C8H13N3O2S and a molecular weight of 215.28 g/mol. Its IUPAC name is (2S)-N-methyl-2-[methyl-(2-oxo-5H-1,3-thiazol-4-yl)amino]propanamide.

Molecular Properties

Compound Name(2S)-N-methyl-2-[methyl-(2-oxo-5H-1,3-thiazol-4-yl)amino]propanamide
PubChem CID89440619
Molecular FormulaC8H13N3O2S
Molecular Weight215.28 g/mol
Exact Mass215.07
IUPAC Name(2S)-N-methyl-2-[methyl-(2-oxo-5H-1,3-thiazol-4-yl)amino]propanamide
SMILESCNC(=O)[C@H](C)N(C)C1=NC(=O)SC1
InChIInChI=1S/C8H13N3O2S/c1-5(7(12)9-2)11(3)6-4-14-8(13)10-6/h5H,4H2,1-3H3,(H,9,12)/t5-/m0/s1
InChIKeyHKNQGUMPWFRTDF-YFKPBYRVSA-N
XLogP0.32
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-methyl-2-[methyl-(2-oxo-5H-1,3-thiazol-4-yl)amino]propanamide?
The IUPAC name of (2S)-N-methyl-2-[methyl-(2-oxo-5H-1,3-thiazol-4-yl)amino]propanamide (CID 89440619) is (2S)-N-methyl-2-[methyl-(2-oxo-5H-1,3-thiazol-4-yl)amino]propanamide.
What is the SMILES notation for (2S)-N-methyl-2-[methyl-(2-oxo-5H-1,3-thiazol-4-yl)amino]propanamide?
The canonical SMILES for (2S)-N-methyl-2-[methyl-(2-oxo-5H-1,3-thiazol-4-yl)amino]propanamide is CNC(=O)[C@H](C)N(C)C1=NC(=O)SC1.
What is the InChIKey of (2S)-N-methyl-2-[methyl-(2-oxo-5H-1,3-thiazol-4-yl)amino]propanamide?
The InChIKey is HKNQGUMPWFRTDF-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H13N3O2S/c1-5(7(12)9-2)11(3)6-4-14-8(13)10-6/h5H,4H2,1-3H3,(H,9,12)/t5-/m0/s1.
What are the key properties of (2S)-N-methyl-2-[methyl-(2-oxo-5H-1,3-thiazol-4-yl)amino]propanamide?
(2S)-N-methyl-2-[methyl-(2-oxo-5H-1,3-thiazol-4-yl)amino]propanamide has a molecular weight of 215.28 g/mol, XLogP of 0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-methyl-2-[methyl-(2-oxo-5H-1,3-thiazol-4-yl)amino]propanamide is sourced from PubChem (CID 89440619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).