2-morpholin-4-yl-N-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]acetamide

C14H15N5O4S — CID 31275061

IUPAC2-morpholin-4-yl-N-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESO=C(CN1CCOCC1)Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1
InChIInChI=1S/C14H15N5O4S/c20-12(9-18-5-7-23-8-6-18)15-14-17-16-13(24-14)10-1-3-11(4-2-10)19(21)22/h1-4H,5-9H2,(H,15,17,20)
InChIKeyDNPDQMPUSCVYCB-UHFFFAOYSA-N
MW349.37 g/mol
LogP1.38
Rot. Bonds5

About 2-morpholin-4-yl-N-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]acetamide

2-morpholin-4-yl-N-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 31275061) has the molecular formula C14H15N5O4S and a molecular weight of 349.37 g/mol. Its IUPAC name is 2-morpholin-4-yl-N-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-morpholin-4-yl-N-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID31275061
Molecular FormulaC14H15N5O4S
Molecular Weight349.37 g/mol
Exact Mass349.08
IUPAC Name2-morpholin-4-yl-N-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESO=C(CN1CCOCC1)Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1
InChIInChI=1S/C14H15N5O4S/c20-12(9-18-5-7-23-8-6-18)15-14-17-16-13(24-14)10-1-3-11(4-2-10)19(21)22/h1-4H,5-9H2,(H,15,17,20)
InChIKeyDNPDQMPUSCVYCB-UHFFFAOYSA-N
XLogP1.38
TPSA110.49 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 51.38
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

N-[5-(4-Nitrophenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 537952
2-Methoxy-N-methyl-N-[5-(4-nitro-phenyl)-[1,3,4]thiadiazol-2-yl]-acetamide
CID 1447022
N-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]-2-piperidin-1-ylacetamide
CID 566975
N-[5-(4-Nitrophenyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 546707
(2R)-N-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 25115358
2,2-dimethyl-N-[5-(4-morpholin-4-yl-3-nitrophenyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 76313775
N'-hydroxy-N-[5-(4-morpholin-4-ylphenyl)-1,3,4-thiadiazol-2-yl]heptanediamide
CID 118716283
N'-hydroxy-N-[5-(4-morpholin-4-ylphenyl)-1,3,4-thiadiazol-2-yl]octanediamide
CID 118716298
N-[3-methoxy-1-[[5-[(4-nitrophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]oxane-4-carboxamide
CID 171342117
N-[3-methoxy-1-[[5-[(4-nitrophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]-2-methylpropanamide
CID 171350047
N-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]-2-oxo-butanamide
CID 155923884
N-[5-(3-fluoro-4-morpholin-4-ylphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 178315246

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-N-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of 2-morpholin-4-yl-N-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]acetamide (CID 31275061) is 2-morpholin-4-yl-N-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for 2-morpholin-4-yl-N-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for 2-morpholin-4-yl-N-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]acetamide is O=C(CN1CCOCC1)Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1.
What is the InChIKey of 2-morpholin-4-yl-N-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is DNPDQMPUSCVYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O4S/c20-12(9-18-5-7-23-8-6-18)15-14-17-16-13(24-14)10-1-3-11(4-2-10)19(21)22/h1-4H,5-9H2,(H,15,17,20).
What are the key properties of 2-morpholin-4-yl-N-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]acetamide?
2-morpholin-4-yl-N-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 349.37 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-N-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 31275061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).