N-[4-(N-hydroxy-C-methylcarbonimidoyl)-1,3-thiazol-2-yl]-3-(oxan-2-yl)propanamide

C13H19N3O3S — CID 77046849

IUPACN-[4-(N-hydroxy-C-methylcarbonimidoyl)-1,3-thiazol-2-yl]-3-(oxan-2-yl)propanamide
SMILESCC(=NO)c1csc(NC(=O)CCC2CCCCO2)n1
InChIInChI=1S/C13H19N3O3S/c1-9(16-18)11-8-20-13(14-11)15-12(17)6-5-10-4-2-3-7-19-10/h8,10,18H,2-7H2,1H3,(H,14,15,17)
InChIKeyHDCYRRPKOAAGKZ-UHFFFAOYSA-N
MW297.38 g/mol
LogP2.63
Rot. Bonds5

About N-[4-(N-hydroxy-C-methylcarbonimidoyl)-1,3-thiazol-2-yl]-3-(oxan-2-yl)propanamide

N-[4-(N-hydroxy-C-methylcarbonimidoyl)-1,3-thiazol-2-yl]-3-(oxan-2-yl)propanamide (PubChem CID 77046849) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is N-[4-(N-hydroxy-C-methylcarbonimidoyl)-1,3-thiazol-2-yl]-3-(oxan-2-yl)propanamide.

Molecular Properties

Compound NameN-[4-(N-hydroxy-C-methylcarbonimidoyl)-1,3-thiazol-2-yl]-3-(oxan-2-yl)propanamide
PubChem CID77046849
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC NameN-[4-(N-hydroxy-C-methylcarbonimidoyl)-1,3-thiazol-2-yl]-3-(oxan-2-yl)propanamide
SMILESCC(=NO)c1csc(NC(=O)CCC2CCCCO2)n1
InChIInChI=1S/C13H19N3O3S/c1-9(16-18)11-8-20-13(14-11)15-12(17)6-5-10-4-2-3-7-19-10/h8,10,18H,2-7H2,1H3,(H,14,15,17)
InChIKeyHDCYRRPKOAAGKZ-UHFFFAOYSA-N
XLogP2.63
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methyl-1,3-thiazol-2-yl)-3-[(2R)-oxolan-2-yl]propanamide
CID 94175491
2-cyclopentyl-N-[4-(N-hydroxy-C-methylcarbonimidoyl)-1,3-thiazol-2-yl]acetamide
CID 77047021
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-3-(oxolan-2-yl)propanamide
CID 65155345
N-[4-(N-hydroxy-C-methylcarbonimidoyl)-1,3-thiazol-2-yl]-1-(oxolan-2-yl)methanesulfonamide
CID 77046674
N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-3-(oxolan-2-yl)propanamide
CID 77057653
4-[2-[3-(oxolan-2-yl)propanoylamino]-1,3-thiazol-4-yl]butanoic acid
CID 80655149
N-[4-(N-hydroxy-C-methylcarbonimidoyl)-1,3-thiazol-2-yl]-2-(thian-4-yl)acetamide
CID 83136336
N-(4-acetyl-1,3-thiazol-2-yl)-3-cyclohexylpropanamide
CID 24634046
3-[(2R)-oxolan-2-yl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
CID 94090182
N-(4-methyl-1,3-thiazol-2-yl)-2-(oxan-2-yl)acetamide
CID 110678002
N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-3-(oxolan-2-yl)propanamide
CID 75402955
N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-3-[(2S)-oxan-2-yl]propanamide
CID 97077643

Frequently Asked Questions

What is the IUPAC name of N-[4-(N-hydroxy-C-methylcarbonimidoyl)-1,3-thiazol-2-yl]-3-(oxan-2-yl)propanamide?
The IUPAC name of N-[4-(N-hydroxy-C-methylcarbonimidoyl)-1,3-thiazol-2-yl]-3-(oxan-2-yl)propanamide (CID 77046849) is N-[4-(N-hydroxy-C-methylcarbonimidoyl)-1,3-thiazol-2-yl]-3-(oxan-2-yl)propanamide.
What is the SMILES notation for N-[4-(N-hydroxy-C-methylcarbonimidoyl)-1,3-thiazol-2-yl]-3-(oxan-2-yl)propanamide?
The canonical SMILES for N-[4-(N-hydroxy-C-methylcarbonimidoyl)-1,3-thiazol-2-yl]-3-(oxan-2-yl)propanamide is CC(=NO)c1csc(NC(=O)CCC2CCCCO2)n1.
What is the InChIKey of N-[4-(N-hydroxy-C-methylcarbonimidoyl)-1,3-thiazol-2-yl]-3-(oxan-2-yl)propanamide?
The InChIKey is HDCYRRPKOAAGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-9(16-18)11-8-20-13(14-11)15-12(17)6-5-10-4-2-3-7-19-10/h8,10,18H,2-7H2,1H3,(H,14,15,17).
What are the key properties of N-[4-(N-hydroxy-C-methylcarbonimidoyl)-1,3-thiazol-2-yl]-3-(oxan-2-yl)propanamide?
N-[4-(N-hydroxy-C-methylcarbonimidoyl)-1,3-thiazol-2-yl]-3-(oxan-2-yl)propanamide has a molecular weight of 297.38 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(N-hydroxy-C-methylcarbonimidoyl)-1,3-thiazol-2-yl]-3-(oxan-2-yl)propanamide is sourced from PubChem (CID 77046849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).