N-[[6-(furan-2-carbonylcarbamothioylamino)-2-pyridinyl]carbamothioyl]furan-2-carboxamide

C17H13N5O4S2 — CID 2382030

IUPACN-[[6-(furan-2-carbonylcarbamothioylamino)-2-pyridinyl]carbamothioyl]furan-2-carboxamide
SMILESO=C(NC(=S)Nc1cccc(NC(=S)NC(=O)c2ccco2)n1)c1ccco1
InChIInChI=1S/C17H13N5O4S2/c23-14(10-4-2-8-25-10)21-16(27)19-12-6-1-7-13(18-12)20-17(28)22-15(24)11-5-3-9-26-11/h1-9H,(H4,18,19,20,21,22,23,24,27,28)
InChIKeyWZDVCHXSFJSLPT-UHFFFAOYSA-N
MW415.46 g/mol
LogP2.52
Rot. Bonds4

About N-[[6-(furan-2-carbonylcarbamothioylamino)-2-pyridinyl]carbamothioyl]furan-2-carboxamide

N-[[6-(furan-2-carbonylcarbamothioylamino)-2-pyridinyl]carbamothioyl]furan-2-carboxamide (PubChem CID 2382030) has the molecular formula C17H13N5O4S2 and a molecular weight of 415.46 g/mol. Its IUPAC name is N-[[6-(furan-2-carbonylcarbamothioylamino)-2-pyridinyl]carbamothioyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[[6-(furan-2-carbonylcarbamothioylamino)-2-pyridinyl]carbamothioyl]furan-2-carboxamide
PubChem CID2382030
Molecular FormulaC17H13N5O4S2
Molecular Weight415.46 g/mol
Exact Mass415.04
IUPAC NameN-[[6-(furan-2-carbonylcarbamothioylamino)-2-pyridinyl]carbamothioyl]furan-2-carboxamide
SMILESO=C(NC(=S)Nc1cccc(NC(=S)NC(=O)c2ccco2)n1)c1ccco1
InChIInChI=1S/C17H13N5O4S2/c23-14(10-4-2-8-25-10)21-16(27)19-12-6-1-7-13(18-12)20-17(28)22-15(24)11-5-3-9-26-11/h1-9H,(H4,18,19,20,21,22,23,24,27,28)
InChIKeyWZDVCHXSFJSLPT-UHFFFAOYSA-N
XLogP2.52
TPSA121.43 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.46
LogP ≤ 52.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N,N'-2,6-pyridinediylbis(5-methyl-2-furamide)
CID 897337
N-(2-furylmethyl)-N'-(6-methylpyridin-2-yl)thiourea
CID 3342641
(2e,2'e)-N,N'-(pyridine-2,6-diyl)bis(3-(furan-2-yl)acrylamide)
CID 2165557
N-{[4-(pyridin-2-yl)piperazin-1-yl]carbonothioyl}furan-2-carboxamide
CID 753444
N-[(4-methylpyridin-2-yl)carbamothioyl]furan-2-carboxamide
CID 875154
(E)-3-(furan-2-yl)-N-[(6-methylpyridin-2-yl)carbamothioyl]prop-2-enamide
CID 884777
2-furyl-N-[6-(2-furylcarbonylamino)(3-pyridyl)]carboxamide
CID 1452811
N-(pyridin-2-ylcarbamothioyl)furan-2-carboxamide
CID 2305909
5-bromo-N-[6-[[(5-bromo-2-furanyl)-oxomethyl]amino]-2-pyridinyl]-2-furancarboxamide
CID 3236147
N-[6-(2-furoylamino)-2-pyridinyl]-2-furamide
CID 784566
N-(pyridin-2-yl)furan-2-carboxamide
CID 687322
N-(4,6-dimethylpyridin-2-yl)furan-2-carboxamide
CID 720493

Frequently Asked Questions

What is the IUPAC name of N-[[6-(furan-2-carbonylcarbamothioylamino)-2-pyridinyl]carbamothioyl]furan-2-carboxamide?
The IUPAC name of N-[[6-(furan-2-carbonylcarbamothioylamino)-2-pyridinyl]carbamothioyl]furan-2-carboxamide (CID 2382030) is N-[[6-(furan-2-carbonylcarbamothioylamino)-2-pyridinyl]carbamothioyl]furan-2-carboxamide.
What is the SMILES notation for N-[[6-(furan-2-carbonylcarbamothioylamino)-2-pyridinyl]carbamothioyl]furan-2-carboxamide?
The canonical SMILES for N-[[6-(furan-2-carbonylcarbamothioylamino)-2-pyridinyl]carbamothioyl]furan-2-carboxamide is O=C(NC(=S)Nc1cccc(NC(=S)NC(=O)c2ccco2)n1)c1ccco1.
What is the InChIKey of N-[[6-(furan-2-carbonylcarbamothioylamino)-2-pyridinyl]carbamothioyl]furan-2-carboxamide?
The InChIKey is WZDVCHXSFJSLPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O4S2/c23-14(10-4-2-8-25-10)21-16(27)19-12-6-1-7-13(18-12)20-17(28)22-15(24)11-5-3-9-26-11/h1-9H,(H4,18,19,20,21,22,23,24,27,28).
What are the key properties of N-[[6-(furan-2-carbonylcarbamothioylamino)-2-pyridinyl]carbamothioyl]furan-2-carboxamide?
N-[[6-(furan-2-carbonylcarbamothioylamino)-2-pyridinyl]carbamothioyl]furan-2-carboxamide has a molecular weight of 415.46 g/mol, XLogP of 2.52, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(furan-2-carbonylcarbamothioylamino)-2-pyridinyl]carbamothioyl]furan-2-carboxamide is sourced from PubChem (CID 2382030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).