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

C11H19N3O2S — CID 89440821

IUPAC(2S,3S)-N,3-dimethyl-2-[methyl-(2-oxo-5H-1,3-thiazol-4-yl)amino]pentanamide
SMILESCC[C@H](C)[C@@H](C(=O)NC)N(C)C1=NC(=O)SC1
InChIInChI=1S/C11H19N3O2S/c1-5-7(2)9(10(15)12-3)14(4)8-6-17-11(16)13-8/h7,9H,5-6H2,1-4H3,(H,12,15)/t7-,9-/m0/s1
InChIKeyKBRRLEQFYAXZDB-CBAPKCEASA-N
MW257.36 g/mol
LogP1.34
Rot. Bonds4

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

(2S,3S)-N,3-dimethyl-2-[methyl-(2-oxo-5H-1,3-thiazol-4-yl)amino]pentanamide (PubChem CID 89440821) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is (2S,3S)-N,3-dimethyl-2-[methyl-(2-oxo-5H-1,3-thiazol-4-yl)amino]pentanamide.

Molecular Properties

Compound Name(2S,3S)-N,3-dimethyl-2-[methyl-(2-oxo-5H-1,3-thiazol-4-yl)amino]pentanamide
PubChem CID89440821
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name(2S,3S)-N,3-dimethyl-2-[methyl-(2-oxo-5H-1,3-thiazol-4-yl)amino]pentanamide
SMILESCC[C@H](C)[C@@H](C(=O)NC)N(C)C1=NC(=O)SC1
InChIInChI=1S/C11H19N3O2S/c1-5-7(2)9(10(15)12-3)14(4)8-6-17-11(16)13-8/h7,9H,5-6H2,1-4H3,(H,12,15)/t7-,9-/m0/s1
InChIKeyKBRRLEQFYAXZDB-CBAPKCEASA-N
XLogP1.34
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 51.34
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,3S)-N,3-dimethyl-2-[methyl-(2-oxo-5H-1,3-thiazol-4-yl)amino]pentanamide?
The IUPAC name of (2S,3S)-N,3-dimethyl-2-[methyl-(2-oxo-5H-1,3-thiazol-4-yl)amino]pentanamide (CID 89440821) is (2S,3S)-N,3-dimethyl-2-[methyl-(2-oxo-5H-1,3-thiazol-4-yl)amino]pentanamide.
What is the SMILES notation for (2S,3S)-N,3-dimethyl-2-[methyl-(2-oxo-5H-1,3-thiazol-4-yl)amino]pentanamide?
The canonical SMILES for (2S,3S)-N,3-dimethyl-2-[methyl-(2-oxo-5H-1,3-thiazol-4-yl)amino]pentanamide is CC[C@H](C)[C@@H](C(=O)NC)N(C)C1=NC(=O)SC1.
What is the InChIKey of (2S,3S)-N,3-dimethyl-2-[methyl-(2-oxo-5H-1,3-thiazol-4-yl)amino]pentanamide?
The InChIKey is KBRRLEQFYAXZDB-CBAPKCEASA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-5-7(2)9(10(15)12-3)14(4)8-6-17-11(16)13-8/h7,9H,5-6H2,1-4H3,(H,12,15)/t7-,9-/m0/s1.
What are the key properties of (2S,3S)-N,3-dimethyl-2-[methyl-(2-oxo-5H-1,3-thiazol-4-yl)amino]pentanamide?
(2S,3S)-N,3-dimethyl-2-[methyl-(2-oxo-5H-1,3-thiazol-4-yl)amino]pentanamide has a molecular weight of 257.36 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N,3-dimethyl-2-[methyl-(2-oxo-5H-1,3-thiazol-4-yl)amino]pentanamide is sourced from PubChem (CID 89440821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).