N-[(carbamothioylamino)carbamothioyl]furan-2-carboxamide

C7H8N4O2S2 — CID 3004916

IUPACN-[(carbamothioylamino)carbamothioyl]furan-2-carboxamide
SMILESNC(=S)NNC(=S)NC(=O)c1ccco1
InChIInChI=1S/C7H8N4O2S2/c8-6(14)10-11-7(15)9-5(12)4-2-1-3-13-4/h1-3H,(H3,8,10,14)(H2,9,11,12,15)
InChIKeyISORUOJUQJDLRG-UHFFFAOYSA-N
MW244.30 g/mol
LogP-0.37
Rot. Bonds1

About N-[(carbamothioylamino)carbamothioyl]furan-2-carboxamide

N-[(carbamothioylamino)carbamothioyl]furan-2-carboxamide (PubChem CID 3004916) has the molecular formula C7H8N4O2S2 and a molecular weight of 244.30 g/mol. Its IUPAC name is N-[(carbamothioylamino)carbamothioyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(carbamothioylamino)carbamothioyl]furan-2-carboxamide
PubChem CID3004916
Molecular FormulaC7H8N4O2S2
Molecular Weight244.30 g/mol
Exact Mass244.01
IUPAC NameN-[(carbamothioylamino)carbamothioyl]furan-2-carboxamide
SMILESNC(=S)NNC(=S)NC(=O)c1ccco1
InChIInChI=1S/C7H8N4O2S2/c8-6(14)10-11-7(15)9-5(12)4-2-1-3-13-4/h1-3H,(H3,8,10,14)(H2,9,11,12,15)
InChIKeyISORUOJUQJDLRG-UHFFFAOYSA-N
XLogP-0.37
TPSA92.32 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 5-0.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(carbamothioylamino)carbamothioyl]furan-2-carboxamide?
The IUPAC name of N-[(carbamothioylamino)carbamothioyl]furan-2-carboxamide (CID 3004916) is N-[(carbamothioylamino)carbamothioyl]furan-2-carboxamide.
What is the SMILES notation for N-[(carbamothioylamino)carbamothioyl]furan-2-carboxamide?
The canonical SMILES for N-[(carbamothioylamino)carbamothioyl]furan-2-carboxamide is NC(=S)NNC(=S)NC(=O)c1ccco1.
What is the InChIKey of N-[(carbamothioylamino)carbamothioyl]furan-2-carboxamide?
The InChIKey is ISORUOJUQJDLRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O2S2/c8-6(14)10-11-7(15)9-5(12)4-2-1-3-13-4/h1-3H,(H3,8,10,14)(H2,9,11,12,15).
What are the key properties of N-[(carbamothioylamino)carbamothioyl]furan-2-carboxamide?
N-[(carbamothioylamino)carbamothioyl]furan-2-carboxamide has a molecular weight of 244.30 g/mol, XLogP of -0.37, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(carbamothioylamino)carbamothioyl]furan-2-carboxamide is sourced from PubChem (CID 3004916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).