N-[[(3R)-2-oxothiolan-3-yl]carbamothioyl]furan-2-carboxamide

C10H10N2O3S2 — CID 702120

IUPACN-[[(3R)-2-oxothiolan-3-yl]carbamothioyl]furan-2-carboxamide
SMILESO=C(NC(=S)N[C@@H]1CCSC1=O)c1ccco1
InChIInChI=1S/C10H10N2O3S2/c13-8(7-2-1-4-15-7)12-10(16)11-6-3-5-17-9(6)14/h1-2,4,6H,3,5H2,(H2,11,12,13,16)/t6-/m1/s1
InChIKeyHMYADISTWYIYBT-ZCFIWIBFSA-N
MW270.33 g/mol
LogP0.92
Rot. Bonds2

About N-[[(3R)-2-oxothiolan-3-yl]carbamothioyl]furan-2-carboxamide

N-[[(3R)-2-oxothiolan-3-yl]carbamothioyl]furan-2-carboxamide (PubChem CID 702120) has the molecular formula C10H10N2O3S2 and a molecular weight of 270.33 g/mol. Its IUPAC name is N-[[(3R)-2-oxothiolan-3-yl]carbamothioyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[[(3R)-2-oxothiolan-3-yl]carbamothioyl]furan-2-carboxamide
PubChem CID702120
Molecular FormulaC10H10N2O3S2
Molecular Weight270.33 g/mol
Exact Mass270.01
IUPAC NameN-[[(3R)-2-oxothiolan-3-yl]carbamothioyl]furan-2-carboxamide
SMILESO=C(NC(=S)N[C@@H]1CCSC1=O)c1ccco1
InChIInChI=1S/C10H10N2O3S2/c13-8(7-2-1-4-15-7)12-10(16)11-6-3-5-17-9(6)14/h1-2,4,6H,3,5H2,(H2,11,12,13,16)/t6-/m1/s1
InChIKeyHMYADISTWYIYBT-ZCFIWIBFSA-N
XLogP0.92
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[[(3R)-2-oxothiolan-3-yl]carbamothioyl]furan-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

Related Compounds

4-fluoro-N-[[(3R)-2-oxothiolan-3-yl]carbamothioyl]benzamide
CID 886336
1-(furan-2-carbonyl)-N-(2-oxothiolan-3-yl)piperidine-4-carboxamide
CID 17081696
N-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]carbamothioyl]furan-2-carboxamide
CID 11916086
N-[di(propan-2-yl)carbamothioyl]furan-2-carboxamide
CID 19187806
N-(formamidocarbamothioyl)furan-2-carboxamide
CID 145074746
cyclopropylbenzene;N-(formamidocarbamothioyl)furan-2-carboxamide;molecular hydrogen
CID 145074745
N-(thiolan-3-yl)furan-2-carboxamide
CID 103708637
N-(prop-2-enylcarbamothioyl)furan-2-carboxamide
CID 2294785
N-(furan-2-ylmethylcarbamothioyl)furan-2-carboxamide
CID 702076
N-cyclooctylfuran-2-carboxamide
CID 790432
N-[[(2S)-4-phenylbutan-2-yl]carbamothioyl]furan-2-carboxamide
CID 2429752
N-[(2-iodophenyl)carbamothioyl]furan-2-carboxamide
CID 1125144

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-2-oxothiolan-3-yl]carbamothioyl]furan-2-carboxamide?
The IUPAC name of N-[[(3R)-2-oxothiolan-3-yl]carbamothioyl]furan-2-carboxamide (CID 702120) is N-[[(3R)-2-oxothiolan-3-yl]carbamothioyl]furan-2-carboxamide.
What is the SMILES notation for N-[[(3R)-2-oxothiolan-3-yl]carbamothioyl]furan-2-carboxamide?
The canonical SMILES for N-[[(3R)-2-oxothiolan-3-yl]carbamothioyl]furan-2-carboxamide is O=C(NC(=S)N[C@@H]1CCSC1=O)c1ccco1.
What is the InChIKey of N-[[(3R)-2-oxothiolan-3-yl]carbamothioyl]furan-2-carboxamide?
The InChIKey is HMYADISTWYIYBT-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H10N2O3S2/c13-8(7-2-1-4-15-7)12-10(16)11-6-3-5-17-9(6)14/h1-2,4,6H,3,5H2,(H2,11,12,13,16)/t6-/m1/s1.
What are the key properties of N-[[(3R)-2-oxothiolan-3-yl]carbamothioyl]furan-2-carboxamide?
N-[[(3R)-2-oxothiolan-3-yl]carbamothioyl]furan-2-carboxamide has a molecular weight of 270.33 g/mol, XLogP of 0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-2-oxothiolan-3-yl]carbamothioyl]furan-2-carboxamide is sourced from PubChem (CID 702120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).