N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-ethyl-1,3-thiazole-4-carboxamide

C10H16N4O2S — CID 76982221

IUPACN-(3-amino-3-hydroxyimino-2-methylpropyl)-N-ethyl-1,3-thiazole-4-carboxamide
SMILESCCN(CC(C)C(N)=NO)C(=O)c1cscn1
InChIInChI=1S/C10H16N4O2S/c1-3-14(4-7(2)9(11)13-16)10(15)8-5-17-6-12-8/h5-7,16H,3-4H2,1-2H3,(H2,11,13)
InChIKeySZAQEYDOZZNGBT-UHFFFAOYSA-N
MW256.33 g/mol
LogP0.99
Rot. Bonds5

About N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-ethyl-1,3-thiazole-4-carboxamide

N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-ethyl-1,3-thiazole-4-carboxamide (PubChem CID 76982221) has the molecular formula C10H16N4O2S and a molecular weight of 256.33 g/mol. Its IUPAC name is N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-ethyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-amino-3-hydroxyimino-2-methylpropyl)-N-ethyl-1,3-thiazole-4-carboxamide
PubChem CID76982221
Molecular FormulaC10H16N4O2S
Molecular Weight256.33 g/mol
Exact Mass256.10
IUPAC NameN-(3-amino-3-hydroxyimino-2-methylpropyl)-N-ethyl-1,3-thiazole-4-carboxamide
SMILESCCN(CC(C)C(N)=NO)C(=O)c1cscn1
InChIInChI=1S/C10H16N4O2S/c1-3-14(4-7(2)9(11)13-16)10(15)8-5-17-6-12-8/h5-7,16H,3-4H2,1-2H3,(H2,11,13)
InChIKeySZAQEYDOZZNGBT-UHFFFAOYSA-N
XLogP0.99
TPSA91.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.99
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 N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-ethyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-ethyl-1,3-thiazole-4-carboxamide (CID 76982221) is N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-ethyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-ethyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-ethyl-1,3-thiazole-4-carboxamide is CCN(CC(C)C(N)=NO)C(=O)c1cscn1.
What is the InChIKey of N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-ethyl-1,3-thiazole-4-carboxamide?
The InChIKey is SZAQEYDOZZNGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2S/c1-3-14(4-7(2)9(11)13-16)10(15)8-5-17-6-12-8/h5-7,16H,3-4H2,1-2H3,(H2,11,13).
What are the key properties of N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-ethyl-1,3-thiazole-4-carboxamide?
N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-ethyl-1,3-thiazole-4-carboxamide has a molecular weight of 256.33 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-ethyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 76982221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).