N-(morpholin-4-ylcarbamothioyl)thiophene-2-carboxamide

C10H13N3O2S2 — CID 871479

IUPACN-(morpholin-4-ylcarbamothioyl)thiophene-2-carboxamide
SMILESO=C(NC(=S)NN1CCOCC1)c1cccs1
InChIInChI=1S/C10H13N3O2S2/c14-9(8-2-1-7-17-8)11-10(16)12-13-3-5-15-6-4-13/h1-2,7H,3-6H2,(H2,11,12,14,16)
InChIKeyDVFFBSDBFSPEJD-UHFFFAOYSA-N
MW271.37 g/mol
LogP0.60
Rot. Bonds2

About N-(morpholin-4-ylcarbamothioyl)thiophene-2-carboxamide

N-(morpholin-4-ylcarbamothioyl)thiophene-2-carboxamide (PubChem CID 871479) has the molecular formula C10H13N3O2S2 and a molecular weight of 271.37 g/mol. Its IUPAC name is N-(morpholin-4-ylcarbamothioyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(morpholin-4-ylcarbamothioyl)thiophene-2-carboxamide
PubChem CID871479
Molecular FormulaC10H13N3O2S2
Molecular Weight271.37 g/mol
Exact Mass271.04
IUPAC NameN-(morpholin-4-ylcarbamothioyl)thiophene-2-carboxamide
SMILESO=C(NC(=S)NN1CCOCC1)c1cccs1
InChIInChI=1S/C10H13N3O2S2/c14-9(8-2-1-7-17-8)11-10(16)12-13-3-5-15-6-4-13/h1-2,7H,3-6H2,(H2,11,12,14,16)
InChIKeyDVFFBSDBFSPEJD-UHFFFAOYSA-N
XLogP0.60
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(morpholin-4-ylcarbamothioyl)thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(morpholin-4-ylcarbamothioyl)thiophene-2-carboxamide?
The IUPAC name of N-(morpholin-4-ylcarbamothioyl)thiophene-2-carboxamide (CID 871479) is N-(morpholin-4-ylcarbamothioyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(morpholin-4-ylcarbamothioyl)thiophene-2-carboxamide?
The canonical SMILES for N-(morpholin-4-ylcarbamothioyl)thiophene-2-carboxamide is O=C(NC(=S)NN1CCOCC1)c1cccs1.
What is the InChIKey of N-(morpholin-4-ylcarbamothioyl)thiophene-2-carboxamide?
The InChIKey is DVFFBSDBFSPEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2S2/c14-9(8-2-1-7-17-8)11-10(16)12-13-3-5-15-6-4-13/h1-2,7H,3-6H2,(H2,11,12,14,16).
What are the key properties of N-(morpholin-4-ylcarbamothioyl)thiophene-2-carboxamide?
N-(morpholin-4-ylcarbamothioyl)thiophene-2-carboxamide has a molecular weight of 271.37 g/mol, XLogP of 0.60, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(morpholin-4-ylcarbamothioyl)thiophene-2-carboxamide is sourced from PubChem (CID 871479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).