N-(1H-indazol-6-ylcarbamothioyl)furan-2-carboxamide

C13H10N4O2S — CID 91824430

IUPACN-(1H-indazol-6-ylcarbamothioyl)furan-2-carboxamide
SMILESO=C(NC(=S)Nc1ccc2cn[nH]c2c1)c1ccco1
InChIInChI=1S/C13H10N4O2S/c18-12(11-2-1-5-19-11)16-13(20)15-9-4-3-8-7-14-17-10(8)6-9/h1-7H,(H,14,17)(H2,15,16,18,20)
InChIKeyBRFNLPZAFITKEF-UHFFFAOYSA-N
MW286.32 g/mol
LogP2.28
Rot. Bonds2

About N-(1H-indazol-6-ylcarbamothioyl)furan-2-carboxamide

N-(1H-indazol-6-ylcarbamothioyl)furan-2-carboxamide (PubChem CID 91824430) has the molecular formula C13H10N4O2S and a molecular weight of 286.32 g/mol. Its IUPAC name is N-(1H-indazol-6-ylcarbamothioyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(1H-indazol-6-ylcarbamothioyl)furan-2-carboxamide
PubChem CID91824430
Molecular FormulaC13H10N4O2S
Molecular Weight286.32 g/mol
Exact Mass286.05
IUPAC NameN-(1H-indazol-6-ylcarbamothioyl)furan-2-carboxamide
SMILESO=C(NC(=S)Nc1ccc2cn[nH]c2c1)c1ccco1
InChIInChI=1S/C13H10N4O2S/c18-12(11-2-1-5-19-11)16-13(20)15-9-4-3-8-7-14-17-10(8)6-9/h1-7H,(H,14,17)(H2,15,16,18,20)
InChIKeyBRFNLPZAFITKEF-UHFFFAOYSA-N
XLogP2.28
TPSA82.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(furan-2-yl)-3-(1H-indazol-6-yl)urea
CID 108868544
4-(furan-2-carbonylcarbamothioylamino)benzoate
CID 6945375
1-(4-ethylphenyl)-3-(1H-indazol-6-yl)thiourea
CID 2396748
1H-indazol-6-yl furan-2-carboxylate
CID 71857506
1-(1H-indazol-6-yl)-3-(2-phenylethyl)urea
CID 71655790
N-[5-(1H-indazol-5-ylcarbamoyl)-2-methylphenyl]furan-2-carboxamide
CID 51329615
1-(1H-indazol-6-yl)-3-(4-methoxyphenyl)urea
CID 108866360
1-(1H-indazol-6-yl)-3-(4-phenoxyphenyl)thiourea
CID 5115143
N-(1H-indazol-6-yl)-2,6-dimethoxybenzamide
CID 110731190
1-(1H-indazol-6-yl)-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 108812161
N-[(4-tetradecylphenyl)carbamothioyl]furan-2-carboxamide
CID 11732936
N-[[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]phenyl]carbamothioyl]furan-2-carboxamide
CID 17099398

Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-6-ylcarbamothioyl)furan-2-carboxamide?
The IUPAC name of N-(1H-indazol-6-ylcarbamothioyl)furan-2-carboxamide (CID 91824430) is N-(1H-indazol-6-ylcarbamothioyl)furan-2-carboxamide.
What is the SMILES notation for N-(1H-indazol-6-ylcarbamothioyl)furan-2-carboxamide?
The canonical SMILES for N-(1H-indazol-6-ylcarbamothioyl)furan-2-carboxamide is O=C(NC(=S)Nc1ccc2cn[nH]c2c1)c1ccco1.
What is the InChIKey of N-(1H-indazol-6-ylcarbamothioyl)furan-2-carboxamide?
The InChIKey is BRFNLPZAFITKEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O2S/c18-12(11-2-1-5-19-11)16-13(20)15-9-4-3-8-7-14-17-10(8)6-9/h1-7H,(H,14,17)(H2,15,16,18,20).
What are the key properties of N-(1H-indazol-6-ylcarbamothioyl)furan-2-carboxamide?
N-(1H-indazol-6-ylcarbamothioyl)furan-2-carboxamide has a molecular weight of 286.32 g/mol, XLogP of 2.28, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-6-ylcarbamothioyl)furan-2-carboxamide is sourced from PubChem (CID 91824430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).