N'-[3-[(1S)-1-methoxyethyl]phenyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]oxamide

C16H19N3O3S — CID 95160402

IUPACN'-[3-[(1S)-1-methoxyethyl]phenyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]oxamide
SMILESCO[C@@H](C)c1cccc(NC(=O)C(=O)NCc2nc(C)cs2)c1
InChIInChI=1S/C16H19N3O3S/c1-10-9-23-14(18-10)8-17-15(20)16(21)19-13-6-4-5-12(7-13)11(2)22-3/h4-7,9,11H,8H2,1-3H3,(H,17,20)(H,19,21)/t11-/m0/s1
InChIKeyBKHXQATVKQLENJ-NSHDSACASA-N
MW333.41 g/mol
LogP2.41
Rot. Bonds5

About N'-[3-[(1S)-1-methoxyethyl]phenyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]oxamide

N'-[3-[(1S)-1-methoxyethyl]phenyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]oxamide (PubChem CID 95160402) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is N'-[3-[(1S)-1-methoxyethyl]phenyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]oxamide.

Molecular Properties

Compound NameN'-[3-[(1S)-1-methoxyethyl]phenyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]oxamide
PubChem CID95160402
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC NameN'-[3-[(1S)-1-methoxyethyl]phenyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]oxamide
SMILESCO[C@@H](C)c1cccc(NC(=O)C(=O)NCc2nc(C)cs2)c1
InChIInChI=1S/C16H19N3O3S/c1-10-9-23-14(18-10)8-17-15(20)16(21)19-13-6-4-5-12(7-13)11(2)22-3/h4-7,9,11H,8H2,1-3H3,(H,17,20)(H,19,21)/t11-/m0/s1
InChIKeyBKHXQATVKQLENJ-NSHDSACASA-N
XLogP2.41
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[3-[(1S)-1-methoxyethyl]phenyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]oxamide?
The IUPAC name of N'-[3-[(1S)-1-methoxyethyl]phenyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]oxamide (CID 95160402) is N'-[3-[(1S)-1-methoxyethyl]phenyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]oxamide.
What is the SMILES notation for N'-[3-[(1S)-1-methoxyethyl]phenyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]oxamide?
The canonical SMILES for N'-[3-[(1S)-1-methoxyethyl]phenyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]oxamide is CO[C@@H](C)c1cccc(NC(=O)C(=O)NCc2nc(C)cs2)c1.
What is the InChIKey of N'-[3-[(1S)-1-methoxyethyl]phenyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]oxamide?
The InChIKey is BKHXQATVKQLENJ-NSHDSACASA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-10-9-23-14(18-10)8-17-15(20)16(21)19-13-6-4-5-12(7-13)11(2)22-3/h4-7,9,11H,8H2,1-3H3,(H,17,20)(H,19,21)/t11-/m0/s1.
What are the key properties of N'-[3-[(1S)-1-methoxyethyl]phenyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]oxamide?
N'-[3-[(1S)-1-methoxyethyl]phenyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]oxamide has a molecular weight of 333.41 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[(1S)-1-methoxyethyl]phenyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]oxamide is sourced from PubChem (CID 95160402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).