4-[[2-(4-nitrophenyl)-1,3-thiazol-4-yl]methyl]morpholine

C14H15N3O3S — CID 17139383

IUPAC4-[[2-(4-nitrophenyl)-1,3-thiazol-4-yl]methyl]morpholine
SMILESO=[N+]([O-])c1ccc(-c2nc(CN3CCOCC3)cs2)cc1
InChIInChI=1S/C14H15N3O3S/c18-17(19)13-3-1-11(2-4-13)14-15-12(10-21-14)9-16-5-7-20-8-6-16/h1-4,10H,5-9H2
InChIKeyDYQBVLTUXJEIJT-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.55
Rot. Bonds4

About 4-[[2-(4-nitrophenyl)-1,3-thiazol-4-yl]methyl]morpholine

4-[[2-(4-nitrophenyl)-1,3-thiazol-4-yl]methyl]morpholine (PubChem CID 17139383) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is 4-[[2-(4-nitrophenyl)-1,3-thiazol-4-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[2-(4-nitrophenyl)-1,3-thiazol-4-yl]methyl]morpholine
PubChem CID17139383
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name4-[[2-(4-nitrophenyl)-1,3-thiazol-4-yl]methyl]morpholine
SMILESO=[N+]([O-])c1ccc(-c2nc(CN3CCOCC3)cs2)cc1
InChIInChI=1S/C14H15N3O3S/c18-17(19)13-3-1-11(2-4-13)14-15-12(10-21-14)9-16-5-7-20-8-6-16/h1-4,10H,5-9H2
InChIKeyDYQBVLTUXJEIJT-UHFFFAOYSA-N
XLogP2.55
TPSA68.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.55
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'}

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Related Compounds

4-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-2-phenyl-1,3-thiazole
CID 6456473
4-[[2-(4-isocyanatophenyl)-1,3-thiazol-4-yl]methyl]morpholine
CID 169354473
4-(methoxymethyl)-2-(4-nitrophenyl)-1,3-thiazole
CID 107511770
2-chloro-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-5-nitrobenzamide
CID 78776017
2-(4-methylphenyl)-4-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-1,3-thiazole
CID 8590734
4-[[1-methyl-4-(4-nitrophenyl)pyrazolo[3,4-b]pyridin-6-yl]methyl]morpholine
CID 59592709
4-[(2-bromo-1,3-thiazol-4-yl)methyl]morpholine
CID 117191298
4-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]morpholine
CID 6465501
2-(4-ethylphenyl)-4-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-1,3-thiazole
CID 9347538
1-[[2-(3-nitrophenyl)-1,3-thiazol-4-yl]methyl]-1,4-diazepan-5-one
CID 75439268
2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone
CID 16557193
methyl 3-[2-(4-nitrophenyl)-1,3-thiazol-4-yl]propanoate
CID 107039821

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-nitrophenyl)-1,3-thiazol-4-yl]methyl]morpholine?
The IUPAC name of 4-[[2-(4-nitrophenyl)-1,3-thiazol-4-yl]methyl]morpholine (CID 17139383) is 4-[[2-(4-nitrophenyl)-1,3-thiazol-4-yl]methyl]morpholine.
What is the SMILES notation for 4-[[2-(4-nitrophenyl)-1,3-thiazol-4-yl]methyl]morpholine?
The canonical SMILES for 4-[[2-(4-nitrophenyl)-1,3-thiazol-4-yl]methyl]morpholine is O=[N+]([O-])c1ccc(-c2nc(CN3CCOCC3)cs2)cc1.
What is the InChIKey of 4-[[2-(4-nitrophenyl)-1,3-thiazol-4-yl]methyl]morpholine?
The InChIKey is DYQBVLTUXJEIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c18-17(19)13-3-1-11(2-4-13)14-15-12(10-21-14)9-16-5-7-20-8-6-16/h1-4,10H,5-9H2.
What are the key properties of 4-[[2-(4-nitrophenyl)-1,3-thiazol-4-yl]methyl]morpholine?
4-[[2-(4-nitrophenyl)-1,3-thiazol-4-yl]methyl]morpholine has a molecular weight of 305.36 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-nitrophenyl)-1,3-thiazol-4-yl]methyl]morpholine is sourced from PubChem (CID 17139383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).