[2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] morpholine-4-carboxylate

C15H14N4O6S — CID 87056849

IUPAC[2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] morpholine-4-carboxylate
SMILESO=C(Nc1ncc([N+](=O)[O-])s1)c1ccccc1OC(=O)N1CCOCC1
InChIInChI=1S/C15H14N4O6S/c20-13(17-14-16-9-12(26-14)19(22)23)10-3-1-2-4-11(10)25-15(21)18-5-7-24-8-6-18/h1-4,9H,5-8H2,(H,16,17,20)
InChIKeyLEOMJGOAGLLEOJ-UHFFFAOYSA-N
MW378.37 g/mol
LogP2.13
Rot. Bonds4

About [2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] morpholine-4-carboxylate

[2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] morpholine-4-carboxylate (PubChem CID 87056849) has the molecular formula C15H14N4O6S and a molecular weight of 378.37 g/mol. Its IUPAC name is [2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] morpholine-4-carboxylate.

Molecular Properties

Compound Name[2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] morpholine-4-carboxylate
PubChem CID87056849
Molecular FormulaC15H14N4O6S
Molecular Weight378.37 g/mol
Exact Mass378.06
IUPAC Name[2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] morpholine-4-carboxylate
SMILESO=C(Nc1ncc([N+](=O)[O-])s1)c1ccccc1OC(=O)N1CCOCC1
InChIInChI=1S/C15H14N4O6S/c20-13(17-14-16-9-12(26-14)19(22)23)10-3-1-2-4-11(10)25-15(21)18-5-7-24-8-6-18/h1-4,9H,5-8H2,(H,16,17,20)
InChIKeyLEOMJGOAGLLEOJ-UHFFFAOYSA-N
XLogP2.13
TPSA123.90 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.37
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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 [2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] carbonate
CID 50908054
[2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] 2-amino-3,3-dimethylbutanoate
CID 131985850
(2-nitrophenyl) morpholine-4-carboxylate
CID 895649
[2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] (2S,3S)-2-amino-3-methylpentanoate;hydrochloride
CID 135262790
4-[[2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl]methyl]piperazine-1-carboxylic acid
CID 121266866
[2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]-5-(oxan-4-ylamino)phenyl] acetate
CID 167361448
hydroxy-oxo-[2-[(2-propanoyloxybenzoyl)amino]-1,3-thiazol-5-yl]azanium
CID 153438149
[2-(butanoylamino)-6-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] butanoate
CID 167361453
3-fluoro-2-methyl-N-(5-nitro-1,3-thiazol-2-yl)benzamide
CID 175919780
hydroxy-oxo-[2-[[2-(piperidine-4-carbonyloxy)benzoyl]amino]-1,3-thiazol-5-yl]azanium
CID 153438148
2-acetamido-3-(butanoylamino)-N-(5-nitro-1,3-thiazol-2-yl)benzamide
CID 167361465
2,4-dibromo-N-(5-nitro-1,3-thiazol-2-yl)benzamide
CID 107951779

Frequently Asked Questions

What is the IUPAC name of [2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] morpholine-4-carboxylate?
The IUPAC name of [2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] morpholine-4-carboxylate (CID 87056849) is [2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] morpholine-4-carboxylate.
What is the SMILES notation for [2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] morpholine-4-carboxylate?
The canonical SMILES for [2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] morpholine-4-carboxylate is O=C(Nc1ncc([N+](=O)[O-])s1)c1ccccc1OC(=O)N1CCOCC1.
What is the InChIKey of [2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] morpholine-4-carboxylate?
The InChIKey is LEOMJGOAGLLEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O6S/c20-13(17-14-16-9-12(26-14)19(22)23)10-3-1-2-4-11(10)25-15(21)18-5-7-24-8-6-18/h1-4,9H,5-8H2,(H,16,17,20).
What are the key properties of [2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] morpholine-4-carboxylate?
[2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] morpholine-4-carboxylate has a molecular weight of 378.37 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] morpholine-4-carboxylate is sourced from PubChem (CID 87056849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).