N-cyclopropyl-N'-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]oxamide

C14H18N4O3S — CID 9352428

IUPACN-cyclopropyl-N'-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]oxamide
SMILESO=C(N/N=C\c1ccc(N2CCOCC2)s1)C(=O)NC1CC1
InChIInChI=1S/C14H18N4O3S/c19-13(16-10-1-2-10)14(20)17-15-9-11-3-4-12(22-11)18-5-7-21-8-6-18/h3-4,9-10H,1-2,5-8H2,(H,16,19)(H,17,20)/b15-9-
InChIKeyYKHWXCJZNQAHRY-DHDCSXOGSA-N
MW322.39 g/mol
LogP0.31
Rot. Bonds4

About N-cyclopropyl-N'-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]oxamide

N-cyclopropyl-N'-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]oxamide (PubChem CID 9352428) has the molecular formula C14H18N4O3S and a molecular weight of 322.39 g/mol. Its IUPAC name is N-cyclopropyl-N'-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-cyclopropyl-N'-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]oxamide
PubChem CID9352428
Molecular FormulaC14H18N4O3S
Molecular Weight322.39 g/mol
Exact Mass322.11
IUPAC NameN-cyclopropyl-N'-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]oxamide
SMILESO=C(N/N=C\c1ccc(N2CCOCC2)s1)C(=O)NC1CC1
InChIInChI=1S/C14H18N4O3S/c19-13(16-10-1-2-10)14(20)17-15-9-11-3-4-12(22-11)18-5-7-21-8-6-18/h3-4,9-10H,1-2,5-8H2,(H,16,19)(H,17,20)/b15-9-
InChIKeyYKHWXCJZNQAHRY-DHDCSXOGSA-N
XLogP0.31
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-hydroxy-N-[(E)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]benzamide
CID 6911488
N-[(E)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-4-(tetrazol-1-yl)benzamide
CID 46804690
2-(4-chlorophenyl)sulfanyl-N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]acetamide
CID 9121609
N-[(E)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-1H-indole-3-carboxamide
CID 6902069
2-(2-methylbenzimidazol-1-yl)-N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]acetamide
CID 9121478
1-cyclohexyl-3-[(4-morpholin-4-ylphenyl)methylideneamino]urea
CID 2467512
3-chloro-N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]aniline
CID 6302768
2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(E)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]acetamide
CID 16556147
4-(5-morpholin-4-ylthiophen-2-yl)morpholine
CID 121007846
4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[(5-morpholin-4-ylthiophen-2-yl)methylideneamino]benzamide
CID 2465190
N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-3-nitroaniline
CID 6282814
N-[(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-1,3-benzoxazol-2-amine
CID 4047872

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N'-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]oxamide?
The IUPAC name of N-cyclopropyl-N'-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]oxamide (CID 9352428) is N-cyclopropyl-N'-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]oxamide.
What is the SMILES notation for N-cyclopropyl-N'-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]oxamide?
The canonical SMILES for N-cyclopropyl-N'-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]oxamide is O=C(N/N=C\c1ccc(N2CCOCC2)s1)C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-N'-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]oxamide?
The InChIKey is YKHWXCJZNQAHRY-DHDCSXOGSA-N. The full InChI is InChI=1S/C14H18N4O3S/c19-13(16-10-1-2-10)14(20)17-15-9-11-3-4-12(22-11)18-5-7-21-8-6-18/h3-4,9-10H,1-2,5-8H2,(H,16,19)(H,17,20)/b15-9-.
What are the key properties of N-cyclopropyl-N'-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]oxamide?
N-cyclopropyl-N'-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]oxamide has a molecular weight of 322.39 g/mol, XLogP of 0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N'-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]oxamide is sourced from PubChem (CID 9352428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).