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

C9H13N3O4S — CID 10563215

IUPAC2-ethoxy-4-(2-nitro-1,3-thiazol-5-yl)morpholine
SMILESCCOC1CN(c2cnc([N+](=O)[O-])s2)CCO1
InChIInChI=1S/C9H13N3O4S/c1-2-15-8-6-11(3-4-16-8)7-5-10-9(17-7)12(13)14/h5,8H,2-4,6H2,1H3
InChIKeyBHZBTYJDELHIBP-UHFFFAOYSA-N
MW259.29 g/mol
LogP1.25
Rot. Bonds4

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

2-ethoxy-4-(2-nitro-1,3-thiazol-5-yl)morpholine (PubChem CID 10563215) has the molecular formula C9H13N3O4S and a molecular weight of 259.29 g/mol. Its IUPAC name is 2-ethoxy-4-(2-nitro-1,3-thiazol-5-yl)morpholine.

Molecular Properties

Compound Name2-ethoxy-4-(2-nitro-1,3-thiazol-5-yl)morpholine
PubChem CID10563215
Molecular FormulaC9H13N3O4S
Molecular Weight259.29 g/mol
Exact Mass259.06
IUPAC Name2-ethoxy-4-(2-nitro-1,3-thiazol-5-yl)morpholine
SMILESCCOC1CN(c2cnc([N+](=O)[O-])s2)CCO1
InChIInChI=1S/C9H13N3O4S/c1-2-15-8-6-11(3-4-16-8)7-5-10-9(17-7)12(13)14/h5,8H,2-4,6H2,1H3
InChIKeyBHZBTYJDELHIBP-UHFFFAOYSA-N
XLogP1.25
TPSA77.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 51.25
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

8-ethoxy-3-nitro-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine
CID 12519462
4-(5-nitro-1,3-thiazol-2-yl)morpholine-2-carbonitrile
CID 102770047
2-ethoxy-4-ethylmorpholine tetrafluoroborate
CID 174977906
4-(2-ethyl-1,3-thiazol-5-yl)morpholine
CID 89317794
4-(3-ethoxy-2-nitrophenyl)-2-(1-methylpyrazol-4-yl)morpholine
CID 75521043
(2S)-2-ethyl-4-(4-nitrophenyl)morpholine
CID 95151191
2-ethoxy-4-[2-(4-methoxyphenyl)sulfanyl-9-methylpurin-6-yl]morpholine
CID 66597428
N-[(4-ethylmorpholin-2-yl)methyl]-6-nitropyridin-3-amine
CID 115633969
tert-butyl N-cyclopropyl-N-[[(2S)-4-(6-nitro-3-pyridinyl)morpholin-2-yl]methyl]carbamate
CID 156652044
2-nitro-1,3-thiazol-5-amine
CID 15238445
dimethoxy-[[4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-2-yl]methyl]-(5-nitropyrimidin-2-yl)azanium
CID 91144440
[4-(2-methyl-6-nitro-1,3-benzothiazol-5-yl)morpholin-2-yl]methanol
CID 81209113

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-(2-nitro-1,3-thiazol-5-yl)morpholine?
The IUPAC name of 2-ethoxy-4-(2-nitro-1,3-thiazol-5-yl)morpholine (CID 10563215) is 2-ethoxy-4-(2-nitro-1,3-thiazol-5-yl)morpholine.
What is the SMILES notation for 2-ethoxy-4-(2-nitro-1,3-thiazol-5-yl)morpholine?
The canonical SMILES for 2-ethoxy-4-(2-nitro-1,3-thiazol-5-yl)morpholine is CCOC1CN(c2cnc([N+](=O)[O-])s2)CCO1.
What is the InChIKey of 2-ethoxy-4-(2-nitro-1,3-thiazol-5-yl)morpholine?
The InChIKey is BHZBTYJDELHIBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O4S/c1-2-15-8-6-11(3-4-16-8)7-5-10-9(17-7)12(13)14/h5,8H,2-4,6H2,1H3.
What are the key properties of 2-ethoxy-4-(2-nitro-1,3-thiazol-5-yl)morpholine?
2-ethoxy-4-(2-nitro-1,3-thiazol-5-yl)morpholine has a molecular weight of 259.29 g/mol, XLogP of 1.25, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-(2-nitro-1,3-thiazol-5-yl)morpholine is sourced from PubChem (CID 10563215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).