(2R)-4-amino-4-hydroxyimino-N,2-dimethyl-N-(4-phenyl-1,3-thiazol-2-yl)butanamide

C15H18N4O2S — CID 173467340

IUPAC(2R)-4-amino-4-hydroxyimino-N,2-dimethyl-N-(4-phenyl-1,3-thiazol-2-yl)butanamide
SMILESC[C@H](CC(N)=NO)C(=O)N(C)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C15H18N4O2S/c1-10(8-13(16)18-21)14(20)19(2)15-17-12(9-22-15)11-6-4-3-5-7-11/h3-7,9-10,21H,8H2,1-2H3,(H2,16,18)/t10-/m1/s1
InChIKeyJTAOFEZWHUVSHV-SNVBAGLBSA-N
MW318.40 g/mol
LogP2.55
Rot. Bonds5

About (2R)-4-amino-4-hydroxyimino-N,2-dimethyl-N-(4-phenyl-1,3-thiazol-2-yl)butanamide

(2R)-4-amino-4-hydroxyimino-N,2-dimethyl-N-(4-phenyl-1,3-thiazol-2-yl)butanamide (PubChem CID 173467340) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is (2R)-4-amino-4-hydroxyimino-N,2-dimethyl-N-(4-phenyl-1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound Name(2R)-4-amino-4-hydroxyimino-N,2-dimethyl-N-(4-phenyl-1,3-thiazol-2-yl)butanamide
PubChem CID173467340
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC Name(2R)-4-amino-4-hydroxyimino-N,2-dimethyl-N-(4-phenyl-1,3-thiazol-2-yl)butanamide
SMILESC[C@H](CC(N)=NO)C(=O)N(C)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C15H18N4O2S/c1-10(8-13(16)18-21)14(20)19(2)15-17-12(9-22-15)11-6-4-3-5-7-11/h3-7,9-10,21H,8H2,1-2H3,(H2,16,18)/t10-/m1/s1
InChIKeyJTAOFEZWHUVSHV-SNVBAGLBSA-N
XLogP2.55
TPSA91.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-amino-4-hydroxyimino-N,2-dimethyl-N-(4-phenyl-1,3-thiazol-2-yl)butanamide?
The IUPAC name of (2R)-4-amino-4-hydroxyimino-N,2-dimethyl-N-(4-phenyl-1,3-thiazol-2-yl)butanamide (CID 173467340) is (2R)-4-amino-4-hydroxyimino-N,2-dimethyl-N-(4-phenyl-1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for (2R)-4-amino-4-hydroxyimino-N,2-dimethyl-N-(4-phenyl-1,3-thiazol-2-yl)butanamide?
The canonical SMILES for (2R)-4-amino-4-hydroxyimino-N,2-dimethyl-N-(4-phenyl-1,3-thiazol-2-yl)butanamide is C[C@H](CC(N)=NO)C(=O)N(C)c1nc(-c2ccccc2)cs1.
What is the InChIKey of (2R)-4-amino-4-hydroxyimino-N,2-dimethyl-N-(4-phenyl-1,3-thiazol-2-yl)butanamide?
The InChIKey is JTAOFEZWHUVSHV-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H18N4O2S/c1-10(8-13(16)18-21)14(20)19(2)15-17-12(9-22-15)11-6-4-3-5-7-11/h3-7,9-10,21H,8H2,1-2H3,(H2,16,18)/t10-/m1/s1.
What are the key properties of (2R)-4-amino-4-hydroxyimino-N,2-dimethyl-N-(4-phenyl-1,3-thiazol-2-yl)butanamide?
(2R)-4-amino-4-hydroxyimino-N,2-dimethyl-N-(4-phenyl-1,3-thiazol-2-yl)butanamide has a molecular weight of 318.40 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-amino-4-hydroxyimino-N,2-dimethyl-N-(4-phenyl-1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 173467340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).