N-(3-methyl-1,3-thiazol-2-ylidene)-4-morpholin-4-yl-3-nitrobenzamide

C15H16N4O4S — CID 31288535

IUPACN-(3-methyl-1,3-thiazol-2-ylidene)-4-morpholin-4-yl-3-nitrobenzamide
SMILESCn1ccs/c1=N\C(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H16N4O4S/c1-17-6-9-24-15(17)16-14(20)11-2-3-12(13(10-11)19(21)22)18-4-7-23-8-5-18/h2-3,6,9-10H,4-5,7-8H2,1H3/b16-15-
InChIKeyUXEOJKLYBUNKQL-NXVVXOECSA-N
MW348.38 g/mol
LogP1.57
Rot. Bonds3

About N-(3-methyl-1,3-thiazol-2-ylidene)-4-morpholin-4-yl-3-nitrobenzamide

N-(3-methyl-1,3-thiazol-2-ylidene)-4-morpholin-4-yl-3-nitrobenzamide (PubChem CID 31288535) has the molecular formula C15H16N4O4S and a molecular weight of 348.38 g/mol. Its IUPAC name is N-(3-methyl-1,3-thiazol-2-ylidene)-4-morpholin-4-yl-3-nitrobenzamide.

Molecular Properties

Compound NameN-(3-methyl-1,3-thiazol-2-ylidene)-4-morpholin-4-yl-3-nitrobenzamide
PubChem CID31288535
Molecular FormulaC15H16N4O4S
Molecular Weight348.38 g/mol
Exact Mass348.09
IUPAC NameN-(3-methyl-1,3-thiazol-2-ylidene)-4-morpholin-4-yl-3-nitrobenzamide
SMILESCn1ccs/c1=N\C(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H16N4O4S/c1-17-6-9-24-15(17)16-14(20)11-2-3-12(13(10-11)19(21)22)18-4-7-23-8-5-18/h2-3,6,9-10H,4-5,7-8H2,1H3/b16-15-
InChIKeyUXEOJKLYBUNKQL-NXVVXOECSA-N
XLogP1.57
TPSA89.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 51.57
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

4-imidazol-1-yl-N-(3-methyl-1,3-thiazol-2-ylidene)-3-nitrobenzamide
CID 51146735
4-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)-3,5-dinitrobenzamide
CID 38163157
N-[3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-4-morpholin-4-yl-3-nitrobenzamide
CID 43938185
N-benzhydrylidene-4-morpholin-4-yl-3-nitrobenzamide
CID 4277714
(1-methylimidazol-2-yl)-(4-morpholin-4-yl-3-nitrophenyl)methanone
CID 51194340
N-(3-methyl-1,3-thiazol-2-ylidene)-5-nitro-2-piperidin-1-ylbenzamide
CID 55332753
N-ethyl-4-morpholin-4-yl-3-nitrobenzamide
CID 18162145
N-(3-methyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)-3-nitro-4-piperidin-1-ylbenzamide
CID 43978974
N-(6-ethoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-4-morpholin-4-yl-3-nitrobenzamide
CID 43943439
N-(6-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-morpholin-4-yl-3-nitrobenzamide
CID 43945835
N-(2-acetamidoethyl)-4-morpholin-4-yl-3-nitrobenzamide
CID 30596526
methyl 4-[4-(morpholine-4-carbonyl)piperazin-1-yl]-3-nitrobenzoate
CID 100918244

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1,3-thiazol-2-ylidene)-4-morpholin-4-yl-3-nitrobenzamide?
The IUPAC name of N-(3-methyl-1,3-thiazol-2-ylidene)-4-morpholin-4-yl-3-nitrobenzamide (CID 31288535) is N-(3-methyl-1,3-thiazol-2-ylidene)-4-morpholin-4-yl-3-nitrobenzamide.
What is the SMILES notation for N-(3-methyl-1,3-thiazol-2-ylidene)-4-morpholin-4-yl-3-nitrobenzamide?
The canonical SMILES for N-(3-methyl-1,3-thiazol-2-ylidene)-4-morpholin-4-yl-3-nitrobenzamide is Cn1ccs/c1=N\C(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1.
What is the InChIKey of N-(3-methyl-1,3-thiazol-2-ylidene)-4-morpholin-4-yl-3-nitrobenzamide?
The InChIKey is UXEOJKLYBUNKQL-NXVVXOECSA-N. The full InChI is InChI=1S/C15H16N4O4S/c1-17-6-9-24-15(17)16-14(20)11-2-3-12(13(10-11)19(21)22)18-4-7-23-8-5-18/h2-3,6,9-10H,4-5,7-8H2,1H3/b16-15-.
What are the key properties of N-(3-methyl-1,3-thiazol-2-ylidene)-4-morpholin-4-yl-3-nitrobenzamide?
N-(3-methyl-1,3-thiazol-2-ylidene)-4-morpholin-4-yl-3-nitrobenzamide has a molecular weight of 348.38 g/mol, XLogP of 1.57, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1,3-thiazol-2-ylidene)-4-morpholin-4-yl-3-nitrobenzamide is sourced from PubChem (CID 31288535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).