4-(5-nitro-1,3-thiazol-2-yl)morpholine

C7H9N3O3S — CID 10608705

IUPAC4-(5-nitro-1,3-thiazol-2-yl)morpholine
SMILESO=[N+]([O-])c1cnc(N2CCOCC2)s1
InChIInChI=1S/C7H9N3O3S/c11-10(12)6-5-8-7(14-6)9-1-3-13-4-2-9/h5H,1-4H2
InChIKeySHSFHUVIAIRUKE-UHFFFAOYSA-N
MW215.23 g/mol
LogP0.89
Rot. Bonds2

About 4-(5-nitro-1,3-thiazol-2-yl)morpholine

4-(5-nitro-1,3-thiazol-2-yl)morpholine (PubChem CID 10608705) has the molecular formula C7H9N3O3S and a molecular weight of 215.23 g/mol. Its IUPAC name is 4-(5-nitro-1,3-thiazol-2-yl)morpholine.

Molecular Properties

Compound Name4-(5-nitro-1,3-thiazol-2-yl)morpholine
PubChem CID10608705
Molecular FormulaC7H9N3O3S
Molecular Weight215.23 g/mol
Exact Mass215.04
IUPAC Name4-(5-nitro-1,3-thiazol-2-yl)morpholine
SMILESO=[N+]([O-])c1cnc(N2CCOCC2)s1
InChIInChI=1S/C7H9N3O3S/c11-10(12)6-5-8-7(14-6)9-1-3-13-4-2-9/h5H,1-4H2
InChIKeySHSFHUVIAIRUKE-UHFFFAOYSA-N
XLogP0.89
TPSA68.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.23
LogP ≤ 50.89
H-Bond Donors ≤ 50
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'}

Analyze 4-(5-nitro-1,3-thiazol-2-yl)morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-morpholin-4-yl-N-(5-nitro-1,3-thiazol-2-yl)acetamide
CID 5078639
1-Imidazolidineethanol, 2-((5-nitro-2-thiazolyl)imino)-
CID 32258
(5-Nitro-1,3-thiazol-2-yl)N,N-diethanolamine
CID 380955
3-Oxazolidineethanol, 2-((5-nitro-2-thiazolyl)imino)-
CID 9568810
2-{2-[(5-Nitro-1,3-thiazol-2-yl)imino]-1,3-oxazolidin-3-yl}ethan-1-ol
CID 91152
1-Acetyl-4-(5-nitro-2-thiazolyl)piperazine
CID 134670
5-nitro-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-2-amine
CID 102770813
N-[2-(2,2-difluoroethoxy)ethyl]-5-nitro-1,3-thiazol-2-amine
CID 105912965
2-[2,2-Difluoroethyl-(5-nitro-1,3-thiazol-2-yl)amino]ethanol
CID 107484262
2-[(5-Nitro-1,3-thiazol-2-yl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 113964939
1,3-Dimethyl-2-[(5-nitro-1,3-thiazol-2-yl)imino]-1,3-diazinan-5-ol
CID 23274925
1-(5-Nitro-thiazol-2-yl)-piperazine
CID 4407465

Frequently Asked Questions

What is the IUPAC name of 4-(5-nitro-1,3-thiazol-2-yl)morpholine?
The IUPAC name of 4-(5-nitro-1,3-thiazol-2-yl)morpholine (CID 10608705) is 4-(5-nitro-1,3-thiazol-2-yl)morpholine.
What is the SMILES notation for 4-(5-nitro-1,3-thiazol-2-yl)morpholine?
The canonical SMILES for 4-(5-nitro-1,3-thiazol-2-yl)morpholine is O=[N+]([O-])c1cnc(N2CCOCC2)s1.
What is the InChIKey of 4-(5-nitro-1,3-thiazol-2-yl)morpholine?
The InChIKey is SHSFHUVIAIRUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O3S/c11-10(12)6-5-8-7(14-6)9-1-3-13-4-2-9/h5H,1-4H2.
What are the key properties of 4-(5-nitro-1,3-thiazol-2-yl)morpholine?
4-(5-nitro-1,3-thiazol-2-yl)morpholine has a molecular weight of 215.23 g/mol, XLogP of 0.89, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-nitro-1,3-thiazol-2-yl)morpholine is sourced from PubChem (CID 10608705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).