cyclopropylbenzene;N-(formamidocarbamothioyl)furan-2-carboxamide;molecular hydrogen

C16H23N3O3S — CID 145074745

IUPACcyclopropylbenzene;N-(formamidocarbamothioyl)furan-2-carboxamide;molecular hydrogen
SMILESO=CNNC(=S)NC(=O)c1ccco1.[H][H].[H][H].[H][H].c1ccc(C2CC2)cc1
InChIInChI=1S/C9H10.C7H7N3O3S.3H2/c1-2-4-8(5-3-1)9-6-7-9;11-4-8-10-7(14)9-6(12)5-2-1-3-13-5;;;/h1-5,9H,6-7H2;1-4H,(H,8,11)(H2,9,10,12,14);3*1H
InChIKeyXZQJAEYSWGEFDF-UHFFFAOYSA-N
MW337.44 g/mol
LogP2.85
Rot. Bonds4

About cyclopropylbenzene;N-(formamidocarbamothioyl)furan-2-carboxamide;molecular hydrogen

cyclopropylbenzene;N-(formamidocarbamothioyl)furan-2-carboxamide;molecular hydrogen (PubChem CID 145074745) has the molecular formula C16H23N3O3S and a molecular weight of 337.44 g/mol. Its IUPAC name is cyclopropylbenzene;N-(formamidocarbamothioyl)furan-2-carboxamide;molecular hydrogen.

Molecular Properties

Compound Namecyclopropylbenzene;N-(formamidocarbamothioyl)furan-2-carboxamide;molecular hydrogen
PubChem CID145074745
Molecular FormulaC16H23N3O3S
Molecular Weight337.44 g/mol
Exact Mass337.15
IUPAC Namecyclopropylbenzene;N-(formamidocarbamothioyl)furan-2-carboxamide;molecular hydrogen
SMILESO=CNNC(=S)NC(=O)c1ccco1.[H][H].[H][H].[H][H].c1ccc(C2CC2)cc1
InChIInChI=1S/C9H10.C7H7N3O3S.3H2/c1-2-4-8(5-3-1)9-6-7-9;11-4-8-10-7(14)9-6(12)5-2-1-3-13-5;;;/h1-5,9H,6-7H2;1-4H,(H,8,11)(H2,9,10,12,14);3*1H
InChIKeyXZQJAEYSWGEFDF-UHFFFAOYSA-N
XLogP2.85
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 52.85
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

N-(formamidocarbamothioyl)furan-2-carboxamide
CID 145074746
N-[[(3R)-2-oxothiolan-3-yl]carbamothioyl]furan-2-carboxamide
CID 702120
N-[[(2-bromobenzoyl)amino]carbamothioyl]furan-2-carboxamide
CID 4925068
N-[benzyl(methyl)carbamothioyl]furan-2-carboxamide
CID 923050
N-[[(2S)-4-phenylbutan-2-yl]carbamothioyl]furan-2-carboxamide
CID 2429752
N-(prop-2-enylcarbamothioyl)furan-2-carboxamide
CID 2294785
N-(furan-2-ylmethylcarbamothioyl)furan-2-carboxamide
CID 702076
N-[(2-carbamoylphenyl)carbamothioyl]furan-2-carboxamide
CID 801553
N-[2-[2-(benzylcarbamothioyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide
CID 7977704
N-[(2-chlorophenyl)methylcarbamothioyl]furan-2-carboxamide
CID 17194361
N-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]carbamothioyl]furan-2-carboxamide
CID 11916086
N-[di(propan-2-yl)carbamothioyl]furan-2-carboxamide
CID 19187806

Frequently Asked Questions

What is the IUPAC name of cyclopropylbenzene;N-(formamidocarbamothioyl)furan-2-carboxamide;molecular hydrogen?
The IUPAC name of cyclopropylbenzene;N-(formamidocarbamothioyl)furan-2-carboxamide;molecular hydrogen (CID 145074745) is cyclopropylbenzene;N-(formamidocarbamothioyl)furan-2-carboxamide;molecular hydrogen.
What is the SMILES notation for cyclopropylbenzene;N-(formamidocarbamothioyl)furan-2-carboxamide;molecular hydrogen?
The canonical SMILES for cyclopropylbenzene;N-(formamidocarbamothioyl)furan-2-carboxamide;molecular hydrogen is O=CNNC(=S)NC(=O)c1ccco1.[H][H].[H][H].[H][H].c1ccc(C2CC2)cc1.
What is the InChIKey of cyclopropylbenzene;N-(formamidocarbamothioyl)furan-2-carboxamide;molecular hydrogen?
The InChIKey is XZQJAEYSWGEFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10.C7H7N3O3S.3H2/c1-2-4-8(5-3-1)9-6-7-9;11-4-8-10-7(14)9-6(12)5-2-1-3-13-5;;;/h1-5,9H,6-7H2;1-4H,(H,8,11)(H2,9,10,12,14);3*1H.
What are the key properties of cyclopropylbenzene;N-(formamidocarbamothioyl)furan-2-carboxamide;molecular hydrogen?
cyclopropylbenzene;N-(formamidocarbamothioyl)furan-2-carboxamide;molecular hydrogen has a molecular weight of 337.44 g/mol, XLogP of 2.85, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylbenzene;N-(formamidocarbamothioyl)furan-2-carboxamide;molecular hydrogen is sourced from PubChem (CID 145074745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).