N-(3-morpholin-4-ylpropylcarbamothioyl)furan-2-carboxamide

C13H19N3O3S — CID 2303787

IUPACN-(3-morpholin-4-ylpropylcarbamothioyl)furan-2-carboxamide
SMILESO=C(NC(=S)NCCCN1CCOCC1)c1ccco1
InChIInChI=1S/C13H19N3O3S/c17-12(11-3-1-8-19-11)15-13(20)14-4-2-5-16-6-9-18-10-7-16/h1,3,8H,2,4-7,9-10H2,(H2,14,15,17,20)
InChIKeyNDRGYODUEHYRME-UHFFFAOYSA-N
MW297.38 g/mol
LogP0.61
Rot. Bonds5

About N-(3-morpholin-4-ylpropylcarbamothioyl)furan-2-carboxamide

N-(3-morpholin-4-ylpropylcarbamothioyl)furan-2-carboxamide (PubChem CID 2303787) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropylcarbamothioyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropylcarbamothioyl)furan-2-carboxamide
PubChem CID2303787
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC NameN-(3-morpholin-4-ylpropylcarbamothioyl)furan-2-carboxamide
SMILESO=C(NC(=S)NCCCN1CCOCC1)c1ccco1
InChIInChI=1S/C13H19N3O3S/c17-12(11-3-1-8-19-11)15-13(20)14-4-2-5-16-6-9-18-10-7-16/h1,3,8H,2,4-7,9-10H2,(H2,14,15,17,20)
InChIKeyNDRGYODUEHYRME-UHFFFAOYSA-N
XLogP0.61
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2-Furoyl)piperazine
CID 550206
4-(Furan-2-carbonyl)piperazine-1-carboxamide
CID 762331
4-Acetyl 1-(2-furoyl)piperazine
CID 565340
5-(2-Furylmethyl)-1,3,5-triazinane-2-thione
CID 929663
1,3-(Difurfuryl)thiourea
CID 3034210
N-(furan-2-ylmethyl)-2-(hydroxymethyl)piperidine-1-carbothioamide
CID 2958187
N-(1,2,2,6,6-pentamethylpiperidin-4-yl)furan-2-carboxamide
CID 723466
1,5-Bis(furan-2-ylmethyl)-1,3,5-triazinane-2-thione
CID 951189
N1-(2-Furylmethyl)-2,6-dimethylpiperidine-1-carbothioamide
CID 2725444
1-(Furan-2-carbonyl)imidazolidin-2-one
CID 1266917
1-(Furan-2-ylmethyl)-1,3-diazinane-2,4,6-trione
CID 2269367
[(Furan-2-yl)methyl]thiourea
CID 717699

Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylpropylcarbamothioyl)furan-2-carboxamide?
The IUPAC name of N-(3-morpholin-4-ylpropylcarbamothioyl)furan-2-carboxamide (CID 2303787) is N-(3-morpholin-4-ylpropylcarbamothioyl)furan-2-carboxamide.
What is the SMILES notation for N-(3-morpholin-4-ylpropylcarbamothioyl)furan-2-carboxamide?
The canonical SMILES for N-(3-morpholin-4-ylpropylcarbamothioyl)furan-2-carboxamide is O=C(NC(=S)NCCCN1CCOCC1)c1ccco1.
What is the InChIKey of N-(3-morpholin-4-ylpropylcarbamothioyl)furan-2-carboxamide?
The InChIKey is NDRGYODUEHYRME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c17-12(11-3-1-8-19-11)15-13(20)14-4-2-5-16-6-9-18-10-7-16/h1,3,8H,2,4-7,9-10H2,(H2,14,15,17,20).
What are the key properties of N-(3-morpholin-4-ylpropylcarbamothioyl)furan-2-carboxamide?
N-(3-morpholin-4-ylpropylcarbamothioyl)furan-2-carboxamide has a molecular weight of 297.38 g/mol, XLogP of 0.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropylcarbamothioyl)furan-2-carboxamide is sourced from PubChem (CID 2303787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).