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

C7H9N3O3S — CID 71261785

IUPAC4-(4-nitro-1,2-thiazol-5-yl)morpholine
SMILESO=[N+]([O-])c1cnsc1N1CCOCC1
InChIInChI=1S/C7H9N3O3S/c11-10(12)6-5-8-14-7(6)9-1-3-13-4-2-9/h5H,1-4H2
InChIKeyXGNGNVVYESAQCH-UHFFFAOYSA-N
MW215.23 g/mol
LogP0.89
Rot. Bonds2

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

4-(4-nitro-1,2-thiazol-5-yl)morpholine (PubChem CID 71261785) has the molecular formula C7H9N3O3S and a molecular weight of 215.23 g/mol. Its IUPAC name is 4-(4-nitro-1,2-thiazol-5-yl)morpholine.

Molecular Properties

Compound Name4-(4-nitro-1,2-thiazol-5-yl)morpholine
PubChem CID71261785
Molecular FormulaC7H9N3O3S
Molecular Weight215.23 g/mol
Exact Mass215.04
IUPAC Name4-(4-nitro-1,2-thiazol-5-yl)morpholine
SMILESO=[N+]([O-])c1cnsc1N1CCOCC1
InChIInChI=1S/C7H9N3O3S/c11-10(12)6-5-8-14-7(6)9-1-3-13-4-2-9/h5H,1-4H2
InChIKeyXGNGNVVYESAQCH-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-(4-nitro-1,2-thiazol-5-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

1-(5-morpholin-4-yl-4-nitrothiophen-2-yl)ethanone
CID 2820095
4-(3,5-dinitro-2-pyridinyl)morpholine
CID 2847997
4-(3-morpholin-4-yl-4-nitrophenyl)morpholine
CID 2829644
4-(3-methyl-5-nitrothiophen-2-yl)morpholine
CID 11075160
4-morpholin-4-yl-5-nitro-1,2-thiazol-3-amine
CID 19827662
4-(2,3-difluoro-4-nitrophenyl)morpholine
CID 58072318
4-(2-nitro-5-piperazin-1-ylphenyl)morpholine;hydrochloride
CID 17354179
4-(4-iodo-3-nitrophenyl)morpholine
CID 121330336
4-morpholin-4-yl-5-nitrophthalic acid
CID 4615082
4-(5-bromo-2-nitrophenyl)morpholine
CID 71651965
4-morpholin-4-yl-3,5-dinitrobenzohydrazide
CID 132593751
(4-morpholin-4-yl-3-nitrophenyl)methanol chloride
CID 45108369

Frequently Asked Questions

What is the IUPAC name of 4-(4-nitro-1,2-thiazol-5-yl)morpholine?
The IUPAC name of 4-(4-nitro-1,2-thiazol-5-yl)morpholine (CID 71261785) is 4-(4-nitro-1,2-thiazol-5-yl)morpholine.
What is the SMILES notation for 4-(4-nitro-1,2-thiazol-5-yl)morpholine?
The canonical SMILES for 4-(4-nitro-1,2-thiazol-5-yl)morpholine is O=[N+]([O-])c1cnsc1N1CCOCC1.
What is the InChIKey of 4-(4-nitro-1,2-thiazol-5-yl)morpholine?
The InChIKey is XGNGNVVYESAQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O3S/c11-10(12)6-5-8-14-7(6)9-1-3-13-4-2-9/h5H,1-4H2.
What are the key properties of 4-(4-nitro-1,2-thiazol-5-yl)morpholine?
4-(4-nitro-1,2-thiazol-5-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-(4-nitro-1,2-thiazol-5-yl)morpholine is sourced from PubChem (CID 71261785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).