N-(pyridin-2-ylcarbamothioyl)furan-2-carboxamide

C11H9N3O2S — CID 2305909

IUPACN-(pyridin-2-ylcarbamothioyl)furan-2-carboxamide
SMILESO=C(NC(=S)Nc1ccccn1)c1ccco1
InChIInChI=1S/C11H9N3O2S/c15-10(8-4-3-7-16-8)14-11(17)13-9-5-1-2-6-12-9/h1-7H,(H2,12,13,14,15,17)
InChIKeyQKZMMLJQTWSMKP-UHFFFAOYSA-N
MW247.28 g/mol
LogP1.80
Rot. Bonds2

About N-(pyridin-2-ylcarbamothioyl)furan-2-carboxamide

N-(pyridin-2-ylcarbamothioyl)furan-2-carboxamide (PubChem CID 2305909) has the molecular formula C11H9N3O2S and a molecular weight of 247.28 g/mol. Its IUPAC name is N-(pyridin-2-ylcarbamothioyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(pyridin-2-ylcarbamothioyl)furan-2-carboxamide
PubChem CID2305909
Molecular FormulaC11H9N3O2S
Molecular Weight247.28 g/mol
Exact Mass247.04
IUPAC NameN-(pyridin-2-ylcarbamothioyl)furan-2-carboxamide
SMILESO=C(NC(=S)Nc1ccccn1)c1ccco1
InChIInChI=1S/C11H9N3O2S/c15-10(8-4-3-7-16-8)14-11(17)13-9-5-1-2-6-12-9/h1-7H,(H2,12,13,14,15,17)
InChIKeyQKZMMLJQTWSMKP-UHFFFAOYSA-N
XLogP1.80
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(5-Bromopyridin-2-yl)-3-(furan-2-ylmethyl)thiourea
CID 978178
N-(2-furylmethyl)-4-(2-pyridinyl)-1-piperazinecarbothioamide
CID 970504
N-(4-methyl-2-pyrimidinyl)-2-furamide
CID 974122
Furan-2-carboxylic acid (6-butyrylamino-4-methyl-pyridin-3-yl)-amide
CID 1452773
N-[5-[(2,2-dimethyl-1-oxopropyl)amino]-2-pyridinyl]-2-furancarboxamide
CID 1452801
Furan-2-carboxylic acid [5-(2-fluoro-benzoylamino)-pyridin-2-yl]-amide
CID 1452813
Furan-2-carboxylic acid [5-(3-fluoro-benzoylamino)-pyridin-2-yl]-amide
CID 1452814
2-[(5-Chloropyridin-2-yl)amino]-2-oxoethyl 2-furoate
CID 2586389
2-[4-(2-Furylcarbonyl)piperazino]nicotinonitrile
CID 2812129
N-(2-furylmethyl)-N'-(3-methyl-2-pyridinyl)thiourea
CID 2981748
N-[6-(pentanoylamino)pyridin-3-yl]furan-2-carboxamide
CID 3213149
N-(6-methoxypyridin-3-yl)furan-2-carboxamide
CID 4780428

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-2-ylcarbamothioyl)furan-2-carboxamide?
The IUPAC name of N-(pyridin-2-ylcarbamothioyl)furan-2-carboxamide (CID 2305909) is N-(pyridin-2-ylcarbamothioyl)furan-2-carboxamide.
What is the SMILES notation for N-(pyridin-2-ylcarbamothioyl)furan-2-carboxamide?
The canonical SMILES for N-(pyridin-2-ylcarbamothioyl)furan-2-carboxamide is O=C(NC(=S)Nc1ccccn1)c1ccco1.
What is the InChIKey of N-(pyridin-2-ylcarbamothioyl)furan-2-carboxamide?
The InChIKey is QKZMMLJQTWSMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O2S/c15-10(8-4-3-7-16-8)14-11(17)13-9-5-1-2-6-12-9/h1-7H,(H2,12,13,14,15,17).
What are the key properties of N-(pyridin-2-ylcarbamothioyl)furan-2-carboxamide?
N-(pyridin-2-ylcarbamothioyl)furan-2-carboxamide has a molecular weight of 247.28 g/mol, XLogP of 1.80, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-2-ylcarbamothioyl)furan-2-carboxamide is sourced from PubChem (CID 2305909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).