N-[N-(methylcarbamoyl)-C-morpholin-4-ylcarbonimidoyl]thiophene-2-carboxamide

C12H16N4O3S — CID 5174655

IUPACN-[N-(methylcarbamoyl)-C-morpholin-4-ylcarbonimidoyl]thiophene-2-carboxamide
SMILESCNC(=O)N=C(NC(=O)c1cccs1)N1CCOCC1
InChIInChI=1S/C12H16N4O3S/c1-13-12(18)15-11(16-4-6-19-7-5-16)14-10(17)9-3-2-8-20-9/h2-3,8H,4-7H2,1H3,(H2,13,14,15,17,18)
InChIKeyMGXDEBWUXVROQW-UHFFFAOYSA-N
MW296.35 g/mol
LogP0.51
Rot. Bonds1

About N-[N-(methylcarbamoyl)-C-morpholin-4-ylcarbonimidoyl]thiophene-2-carboxamide

N-[N-(methylcarbamoyl)-C-morpholin-4-ylcarbonimidoyl]thiophene-2-carboxamide (PubChem CID 5174655) has the molecular formula C12H16N4O3S and a molecular weight of 296.35 g/mol. Its IUPAC name is N-[N-(methylcarbamoyl)-C-morpholin-4-ylcarbonimidoyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[N-(methylcarbamoyl)-C-morpholin-4-ylcarbonimidoyl]thiophene-2-carboxamide
PubChem CID5174655
Molecular FormulaC12H16N4O3S
Molecular Weight296.35 g/mol
Exact Mass296.09
IUPAC NameN-[N-(methylcarbamoyl)-C-morpholin-4-ylcarbonimidoyl]thiophene-2-carboxamide
SMILESCNC(=O)N=C(NC(=O)c1cccs1)N1CCOCC1
InChIInChI=1S/C12H16N4O3S/c1-13-12(18)15-11(16-4-6-19-7-5-16)14-10(17)9-3-2-8-20-9/h2-3,8H,4-7H2,1H3,(H2,13,14,15,17,18)
InChIKeyMGXDEBWUXVROQW-UHFFFAOYSA-N
XLogP0.51
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-[4-(morpholine-4-carbonyl)phenyl]thiophene-2-carboxamide
CID 653867
N-[[2-(morpholine-4-carbonyl)phenyl]carbamothioyl]thiophene-2-carboxamide
CID 4933178
4-(1-thiophen-2-ylethenyl)morpholine
CID 11074319
N-[(2R)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 9117695
[1-(morpholine-4-carbonyl)piperidin-4-yl]-thiophen-2-ylmethanone
CID 110394387
N-[(2-morpholin-4-ylphenyl)carbamoyl]thiophene-2-carboxamide
CID 110866569
N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]thiophene-2-carboxamide
CID 6906036
N-methyl-4-(thiophene-2-carbonyl)piperazine-1-carboxamide
CID 47127631
N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]thiophene-2-carboxamide
CID 18117454
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]thiophene-2-carboxamide
CID 24549403
N-(4-methylphenyl)-1-morpholin-4-yl-1-thiophen-2-ylmethanimine
CID 645571
N-(6-morpholin-4-ylpyridazin-3-yl)thiophene-2-carboxamide
CID 113039647

Frequently Asked Questions

What is the IUPAC name of N-[N-(methylcarbamoyl)-C-morpholin-4-ylcarbonimidoyl]thiophene-2-carboxamide?
The IUPAC name of N-[N-(methylcarbamoyl)-C-morpholin-4-ylcarbonimidoyl]thiophene-2-carboxamide (CID 5174655) is N-[N-(methylcarbamoyl)-C-morpholin-4-ylcarbonimidoyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[N-(methylcarbamoyl)-C-morpholin-4-ylcarbonimidoyl]thiophene-2-carboxamide?
The canonical SMILES for N-[N-(methylcarbamoyl)-C-morpholin-4-ylcarbonimidoyl]thiophene-2-carboxamide is CNC(=O)N=C(NC(=O)c1cccs1)N1CCOCC1.
What is the InChIKey of N-[N-(methylcarbamoyl)-C-morpholin-4-ylcarbonimidoyl]thiophene-2-carboxamide?
The InChIKey is MGXDEBWUXVROQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3S/c1-13-12(18)15-11(16-4-6-19-7-5-16)14-10(17)9-3-2-8-20-9/h2-3,8H,4-7H2,1H3,(H2,13,14,15,17,18).
What are the key properties of N-[N-(methylcarbamoyl)-C-morpholin-4-ylcarbonimidoyl]thiophene-2-carboxamide?
N-[N-(methylcarbamoyl)-C-morpholin-4-ylcarbonimidoyl]thiophene-2-carboxamide has a molecular weight of 296.35 g/mol, XLogP of 0.51, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[N-(methylcarbamoyl)-C-morpholin-4-ylcarbonimidoyl]thiophene-2-carboxamide is sourced from PubChem (CID 5174655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).