N-(formamidocarbamothioyl)furan-2-carboxamide

C7H7N3O3S — CID 145074746

IUPACN-(formamidocarbamothioyl)furan-2-carboxamide
SMILESO=CNNC(=S)NC(=O)c1ccco1
InChIInChI=1S/C7H7N3O3S/c11-4-8-10-7(14)9-6(12)5-2-1-3-13-5/h1-4H,(H,8,11)(H2,9,10,12,14)
InChIKeyZHZBGNSPLQSGPQ-UHFFFAOYSA-N
MW213.22 g/mol
LogP-0.46
Rot. Bonds3

About N-(formamidocarbamothioyl)furan-2-carboxamide

N-(formamidocarbamothioyl)furan-2-carboxamide (PubChem CID 145074746) has the molecular formula C7H7N3O3S and a molecular weight of 213.22 g/mol. Its IUPAC name is N-(formamidocarbamothioyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(formamidocarbamothioyl)furan-2-carboxamide
PubChem CID145074746
Molecular FormulaC7H7N3O3S
Molecular Weight213.22 g/mol
Exact Mass213.02
IUPAC NameN-(formamidocarbamothioyl)furan-2-carboxamide
SMILESO=CNNC(=S)NC(=O)c1ccco1
InChIInChI=1S/C7H7N3O3S/c11-4-8-10-7(14)9-6(12)5-2-1-3-13-5/h1-4H,(H,8,11)(H2,9,10,12,14)
InChIKeyZHZBGNSPLQSGPQ-UHFFFAOYSA-N
XLogP-0.46
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.22
LogP ≤ 5-0.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

cyclopropylbenzene;N-(formamidocarbamothioyl)furan-2-carboxamide;molecular hydrogen
CID 145074745
N-(prop-2-enylcarbamothioyl)furan-2-carboxamide
CID 2294785
N-[[(2-bromobenzoyl)amino]carbamothioyl]furan-2-carboxamide
CID 4925068
N-(furan-2-ylmethylcarbamothioyl)furan-2-carboxamide
CID 702076
N-[(2-carbamoylphenyl)carbamothioyl]furan-2-carboxamide
CID 801553
N-[di(propan-2-yl)carbamothioyl]furan-2-carboxamide
CID 19187806
N-[[(2S)-4-phenylbutan-2-yl]carbamothioyl]furan-2-carboxamide
CID 2429752
N-[(2-iodophenyl)carbamothioyl]furan-2-carboxamide
CID 1125144
N-(dodecylcarbamothioyl)furan-2-carboxamide
CID 10958704
4-(furan-2-carbonylcarbamothioylamino)benzoate
CID 6945375
N-[(2,3-dichlorophenyl)carbamothioyl]furan-2-carboxamide
CID 952249
N-[(5-hydroxynaphthalen-1-yl)carbamothioyl]furan-2-carboxamide
CID 2235526

Frequently Asked Questions

What is the IUPAC name of N-(formamidocarbamothioyl)furan-2-carboxamide?
The IUPAC name of N-(formamidocarbamothioyl)furan-2-carboxamide (CID 145074746) is N-(formamidocarbamothioyl)furan-2-carboxamide.
What is the SMILES notation for N-(formamidocarbamothioyl)furan-2-carboxamide?
The canonical SMILES for N-(formamidocarbamothioyl)furan-2-carboxamide is O=CNNC(=S)NC(=O)c1ccco1.
What is the InChIKey of N-(formamidocarbamothioyl)furan-2-carboxamide?
The InChIKey is ZHZBGNSPLQSGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O3S/c11-4-8-10-7(14)9-6(12)5-2-1-3-13-5/h1-4H,(H,8,11)(H2,9,10,12,14).
What are the key properties of N-(formamidocarbamothioyl)furan-2-carboxamide?
N-(formamidocarbamothioyl)furan-2-carboxamide has a molecular weight of 213.22 g/mol, XLogP of -0.46, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(formamidocarbamothioyl)furan-2-carboxamide is sourced from PubChem (CID 145074746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).