N-(4-carbamothioyl-1-methylpyrazol-5-yl)-3-methylfuran-2-carboxamide

C11H12N4O2S — CID 79499856

IUPACN-(4-carbamothioyl-1-methylpyrazol-5-yl)-3-methylfuran-2-carboxamide
SMILESCc1ccoc1C(=O)Nc1c(C(N)=S)cnn1C
InChIInChI=1S/C11H12N4O2S/c1-6-3-4-17-8(6)11(16)14-10-7(9(12)18)5-13-15(10)2/h3-5H,1-2H3,(H2,12,18)(H,14,16)
InChIKeyNBQMPQTXRKASDI-UHFFFAOYSA-N
MW264.31 g/mol
LogP1.21
Rot. Bonds3

About N-(4-carbamothioyl-1-methylpyrazol-5-yl)-3-methylfuran-2-carboxamide

N-(4-carbamothioyl-1-methylpyrazol-5-yl)-3-methylfuran-2-carboxamide (PubChem CID 79499856) has the molecular formula C11H12N4O2S and a molecular weight of 264.31 g/mol. Its IUPAC name is N-(4-carbamothioyl-1-methylpyrazol-5-yl)-3-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(4-carbamothioyl-1-methylpyrazol-5-yl)-3-methylfuran-2-carboxamide
PubChem CID79499856
Molecular FormulaC11H12N4O2S
Molecular Weight264.31 g/mol
Exact Mass264.07
IUPAC NameN-(4-carbamothioyl-1-methylpyrazol-5-yl)-3-methylfuran-2-carboxamide
SMILESCc1ccoc1C(=O)Nc1c(C(N)=S)cnn1C
InChIInChI=1S/C11H12N4O2S/c1-6-3-4-17-8(6)11(16)14-10-7(9(12)18)5-13-15(10)2/h3-5H,1-2H3,(H2,12,18)(H,14,16)
InChIKeyNBQMPQTXRKASDI-UHFFFAOYSA-N
XLogP1.21
TPSA86.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-(4-carbamothioyl-1-methylpyrazol-5-yl)-2-methylbenzamide
CID 79500058
N-(4-carbamothioyl-1-methylpyrazol-5-yl)pyridine-4-carboxamide
CID 79499854
N-(4-carbamothioyl-1-methylpyrazol-5-yl)-2,5-dichlorobenzamide
CID 79499109
N-(4-carbamothioyl-1-methylpyrazol-5-yl)-2-methylpropanamide
CID 79500593
N-(4-carbamothioyl-1-methylpyrazol-5-yl)thiophene-3-carboxamide
CID 79499113
N-(4-carbamothioyl-1-methylpyrazol-5-yl)-3-fluoropyridine-4-carboxamide
CID 79500482
N-(4-carbamothioyl-1-methylpyrazol-5-yl)-2,4-difluorobenzamide
CID 79499966
N-(4-carbamothioyl-1-methylpyrazol-5-yl)-5-chloro-2-fluorobenzamide
CID 79499352
N-(2-carbamothioyl-5-chlorophenyl)-3-methylfuran-2-carboxamide
CID 64917019
N-(4-carbamothioyl-1-methylpyrazol-5-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 103118045
N-(4-carbamothioyl-1-methylpyrazol-5-yl)-3-(furan-2-yl)propanamide
CID 79500148
N-(4-carbamothioyl-1-methylpyrazol-5-yl)-1,3-thiazole-4-carboxamide
CID 79500369

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamothioyl-1-methylpyrazol-5-yl)-3-methylfuran-2-carboxamide?
The IUPAC name of N-(4-carbamothioyl-1-methylpyrazol-5-yl)-3-methylfuran-2-carboxamide (CID 79499856) is N-(4-carbamothioyl-1-methylpyrazol-5-yl)-3-methylfuran-2-carboxamide.
What is the SMILES notation for N-(4-carbamothioyl-1-methylpyrazol-5-yl)-3-methylfuran-2-carboxamide?
The canonical SMILES for N-(4-carbamothioyl-1-methylpyrazol-5-yl)-3-methylfuran-2-carboxamide is Cc1ccoc1C(=O)Nc1c(C(N)=S)cnn1C.
What is the InChIKey of N-(4-carbamothioyl-1-methylpyrazol-5-yl)-3-methylfuran-2-carboxamide?
The InChIKey is NBQMPQTXRKASDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2S/c1-6-3-4-17-8(6)11(16)14-10-7(9(12)18)5-13-15(10)2/h3-5H,1-2H3,(H2,12,18)(H,14,16).
What are the key properties of N-(4-carbamothioyl-1-methylpyrazol-5-yl)-3-methylfuran-2-carboxamide?
N-(4-carbamothioyl-1-methylpyrazol-5-yl)-3-methylfuran-2-carboxamide has a molecular weight of 264.31 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamothioyl-1-methylpyrazol-5-yl)-3-methylfuran-2-carboxamide is sourced from PubChem (CID 79499856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).