2-(diethylamino)-N-(5-nitro-1,3-thiazol-2-yl)acetamide

C9H14N4O3S — CID 18822891

IUPAC2-(diethylamino)-N-(5-nitro-1,3-thiazol-2-yl)acetamide
SMILESCCN(CC)CC(=O)Nc1ncc([N+](=O)[O-])s1
InChIInChI=1S/C9H14N4O3S/c1-3-12(4-2)6-7(14)11-9-10-5-8(17-9)13(15)16/h5H,3-4,6H2,1-2H3,(H,10,11,14)
InChIKeyJTXPHSHWTXZOMK-UHFFFAOYSA-N
MW258.30 g/mol
LogP1.33
Rot. Bonds6

About 2-(diethylamino)-N-(5-nitro-1,3-thiazol-2-yl)acetamide

2-(diethylamino)-N-(5-nitro-1,3-thiazol-2-yl)acetamide (PubChem CID 18822891) has the molecular formula C9H14N4O3S and a molecular weight of 258.30 g/mol. Its IUPAC name is 2-(diethylamino)-N-(5-nitro-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(diethylamino)-N-(5-nitro-1,3-thiazol-2-yl)acetamide
PubChem CID18822891
Molecular FormulaC9H14N4O3S
Molecular Weight258.30 g/mol
Exact Mass258.08
IUPAC Name2-(diethylamino)-N-(5-nitro-1,3-thiazol-2-yl)acetamide
SMILESCCN(CC)CC(=O)Nc1ncc([N+](=O)[O-])s1
InChIInChI=1S/C9H14N4O3S/c1-3-12(4-2)6-7(14)11-9-10-5-8(17-9)13(15)16/h5H,3-4,6H2,1-2H3,(H,10,11,14)
InChIKeyJTXPHSHWTXZOMK-UHFFFAOYSA-N
XLogP1.33
TPSA88.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', '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 2-(diethylamino)-N-(5-nitro-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(diethylamino)-N-(5-nitro-1,3-thiazol-2-yl)acetamide (CID 18822891) is 2-(diethylamino)-N-(5-nitro-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(diethylamino)-N-(5-nitro-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(diethylamino)-N-(5-nitro-1,3-thiazol-2-yl)acetamide is CCN(CC)CC(=O)Nc1ncc([N+](=O)[O-])s1.
What is the InChIKey of 2-(diethylamino)-N-(5-nitro-1,3-thiazol-2-yl)acetamide?
The InChIKey is JTXPHSHWTXZOMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O3S/c1-3-12(4-2)6-7(14)11-9-10-5-8(17-9)13(15)16/h5H,3-4,6H2,1-2H3,(H,10,11,14).
What are the key properties of 2-(diethylamino)-N-(5-nitro-1,3-thiazol-2-yl)acetamide?
2-(diethylamino)-N-(5-nitro-1,3-thiazol-2-yl)acetamide has a molecular weight of 258.30 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-N-(5-nitro-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 18822891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).