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

C8H8N4O3S — CID 102770047

IUPAC4-(5-nitro-1,3-thiazol-2-yl)morpholine-2-carbonitrile
SMILESN#CC1CN(c2ncc([N+](=O)[O-])s2)CCO1
InChIInChI=1S/C8H8N4O3S/c9-3-6-5-11(1-2-15-6)8-10-4-7(16-8)12(13)14/h4,6H,1-2,5H2
InChIKeyMVVUOJMWDNYETI-UHFFFAOYSA-N
MW240.24 g/mol
LogP0.78
Rot. Bonds2

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

4-(5-nitro-1,3-thiazol-2-yl)morpholine-2-carbonitrile (PubChem CID 102770047) has the molecular formula C8H8N4O3S and a molecular weight of 240.24 g/mol. Its IUPAC name is 4-(5-nitro-1,3-thiazol-2-yl)morpholine-2-carbonitrile.

Molecular Properties

Compound Name4-(5-nitro-1,3-thiazol-2-yl)morpholine-2-carbonitrile
PubChem CID102770047
Molecular FormulaC8H8N4O3S
Molecular Weight240.24 g/mol
Exact Mass240.03
IUPAC Name4-(5-nitro-1,3-thiazol-2-yl)morpholine-2-carbonitrile
SMILESN#CC1CN(c2ncc([N+](=O)[O-])s2)CCO1
InChIInChI=1S/C8H8N4O3S/c9-3-6-5-11(1-2-15-6)8-10-4-7(16-8)12(13)14/h4,6H,1-2,5H2
InChIKeyMVVUOJMWDNYETI-UHFFFAOYSA-N
XLogP0.78
TPSA92.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.24
LogP ≤ 50.78
H-Bond Donors ≤ 50
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

2-(2-cyanomorpholin-4-yl)-1,3-thiazole-5-carboxylic acid
CID 80572410
4-(5-methyl-4-nitro-2-pyridinyl)morpholine-2-carbonitrile
CID 83268548
1-(5-nitro-1,3-thiazol-2-yl)azetidin-3-ol
CID 102771598
4-(6-amino-5-nitropyrimidin-4-yl)morpholine-2-carbonitrile
CID 80850134
1-[1-(5-nitro-1,3-thiazol-2-yl)pyrrolidin-3-yl]ethanol
CID 102771627
[1-(5-nitro-1,3-thiazol-2-yl)piperidin-3-yl]methanol
CID 102771576
4-(2-amino-4-nitrophenyl)morpholine-2-carbonitrile
CID 79675221
4-(3-fluoro-5-nitrophenyl)morpholine-2-carbonitrile
CID 80748458
4-(5-chloro-2-nitrophenyl)morpholine-2-carbonitrile
CID 115469457
4-(4-fluoro-2-nitrophenyl)morpholine-2-carbonitrile
CID 78946425
3-(5-nitro-1,3-thiazol-2-yl)-1,5,3-dithiazocane
CID 125488442
2-(2-cyanomorpholin-4-yl)-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115424826

Frequently Asked Questions

What is the IUPAC name of 4-(5-nitro-1,3-thiazol-2-yl)morpholine-2-carbonitrile?
The IUPAC name of 4-(5-nitro-1,3-thiazol-2-yl)morpholine-2-carbonitrile (CID 102770047) is 4-(5-nitro-1,3-thiazol-2-yl)morpholine-2-carbonitrile.
What is the SMILES notation for 4-(5-nitro-1,3-thiazol-2-yl)morpholine-2-carbonitrile?
The canonical SMILES for 4-(5-nitro-1,3-thiazol-2-yl)morpholine-2-carbonitrile is N#CC1CN(c2ncc([N+](=O)[O-])s2)CCO1.
What is the InChIKey of 4-(5-nitro-1,3-thiazol-2-yl)morpholine-2-carbonitrile?
The InChIKey is MVVUOJMWDNYETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O3S/c9-3-6-5-11(1-2-15-6)8-10-4-7(16-8)12(13)14/h4,6H,1-2,5H2.
What are the key properties of 4-(5-nitro-1,3-thiazol-2-yl)morpholine-2-carbonitrile?
4-(5-nitro-1,3-thiazol-2-yl)morpholine-2-carbonitrile has a molecular weight of 240.24 g/mol, XLogP of 0.78, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-nitro-1,3-thiazol-2-yl)morpholine-2-carbonitrile is sourced from PubChem (CID 102770047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).