2-morpholin-4-yl-N-(5-nitro-1,3-thiazol-2-yl)acetamide

C9H12N4O4S — CID 5078639

IUPAC2-morpholin-4-yl-N-(5-nitro-1,3-thiazol-2-yl)acetamide
SMILESO=C(CN1CCOCC1)Nc1ncc([N+](=O)[O-])s1
InChIInChI=1S/C9H12N4O4S/c14-7(6-12-1-3-17-4-2-12)11-9-10-5-8(18-9)13(15)16/h5H,1-4,6H2,(H,10,11,14)
InChIKeyJBQBTDZARWCPGT-UHFFFAOYSA-N
MW272.29 g/mol
LogP0.32
Rot. Bonds4

About 2-morpholin-4-yl-N-(5-nitro-1,3-thiazol-2-yl)acetamide

2-morpholin-4-yl-N-(5-nitro-1,3-thiazol-2-yl)acetamide (PubChem CID 5078639) has the molecular formula C9H12N4O4S and a molecular weight of 272.29 g/mol. Its IUPAC name is 2-morpholin-4-yl-N-(5-nitro-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-morpholin-4-yl-N-(5-nitro-1,3-thiazol-2-yl)acetamide
PubChem CID5078639
Molecular FormulaC9H12N4O4S
Molecular Weight272.29 g/mol
Exact Mass272.06
IUPAC Name2-morpholin-4-yl-N-(5-nitro-1,3-thiazol-2-yl)acetamide
SMILESO=C(CN1CCOCC1)Nc1ncc([N+](=O)[O-])s1
InChIInChI=1S/C9H12N4O4S/c14-7(6-12-1-3-17-4-2-12)11-9-10-5-8(18-9)13(15)16/h5H,1-4,6H2,(H,10,11,14)
InChIKeyJBQBTDZARWCPGT-UHFFFAOYSA-N
XLogP0.32
TPSA97.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.29
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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Related Compounds

Ethyl [(5-nitro-1,3-thiazol-2-yl)amino](oxo)acetate
CID 2836428
N-(5-nitro-1,3-thiazol-2-yl)-2-pyrrolidin-1-ylacetamide
CID 3555194
N-(5-nitro-1,3-thiazol-2-yl)-2-piperidin-1-ylacetamide
CID 4454937
2-(diethylamino)-N-(5-nitro-1,3-thiazol-2-yl)acetamide
CID 18822891
N-2-Thiazolyl-4-morpholineacetamide
CID 687268
2-methoxy-N-(5-nitro-1,3-thiazol-2-yl)acetamide
CID 321577
Ethyl 2-(3-(5-nitro-2-thiazolyl)ureido)acetate
CID 4216495
ethyl N-[2-[(5-nitro-1,3-thiazol-2-yl)amino]acetyl]carbamate
CID 321524
2-ethoxy-N-(5-nitro-1,3-thiazol-2-yl)acetamide
CID 3155137
2-[Ethylcarbamoyl-(5-nitro-1,3-thiazol-2-yl)amino]acetamide
CID 321516
N~2~-(Ethylcarbamoyl)-N-methyl-N~2~-(5-nitro-1,3-thiazol-2-yl)glycinamide
CID 321518
3-ethoxy-N-(5-nitro-1,3-thiazol-2-yl)propanamide
CID 2974670

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-N-(5-nitro-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-morpholin-4-yl-N-(5-nitro-1,3-thiazol-2-yl)acetamide (CID 5078639) is 2-morpholin-4-yl-N-(5-nitro-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-morpholin-4-yl-N-(5-nitro-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-morpholin-4-yl-N-(5-nitro-1,3-thiazol-2-yl)acetamide is O=C(CN1CCOCC1)Nc1ncc([N+](=O)[O-])s1.
What is the InChIKey of 2-morpholin-4-yl-N-(5-nitro-1,3-thiazol-2-yl)acetamide?
The InChIKey is JBQBTDZARWCPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O4S/c14-7(6-12-1-3-17-4-2-12)11-9-10-5-8(18-9)13(15)16/h5H,1-4,6H2,(H,10,11,14).
What are the key properties of 2-morpholin-4-yl-N-(5-nitro-1,3-thiazol-2-yl)acetamide?
2-morpholin-4-yl-N-(5-nitro-1,3-thiazol-2-yl)acetamide has a molecular weight of 272.29 g/mol, XLogP of 0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-N-(5-nitro-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 5078639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).