2-(2-bicyclo[2.2.1]heptanyl)-N-(4-carbamothioyl-1-methylpyrazol-5-yl)acetamide

C14H20N4OS — CID 79499674

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-N-(4-carbamothioyl-1-methylpyrazol-5-yl)acetamide
SMILESCn1ncc(C(N)=S)c1NC(=O)CC1CC2CCC1C2
InChIInChI=1S/C14H20N4OS/c1-18-14(11(7-16-18)13(15)20)17-12(19)6-10-5-8-2-3-9(10)4-8/h7-10H,2-6H2,1H3,(H2,15,20)(H,17,19)
InChIKeyVASPKULFFXFATO-UHFFFAOYSA-N
MW292.41 g/mol
LogP1.82
Rot. Bonds4

About 2-(2-bicyclo[2.2.1]heptanyl)-N-(4-carbamothioyl-1-methylpyrazol-5-yl)acetamide

2-(2-bicyclo[2.2.1]heptanyl)-N-(4-carbamothioyl-1-methylpyrazol-5-yl)acetamide (PubChem CID 79499674) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-N-(4-carbamothioyl-1-methylpyrazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-N-(4-carbamothioyl-1-methylpyrazol-5-yl)acetamide
PubChem CID79499674
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-N-(4-carbamothioyl-1-methylpyrazol-5-yl)acetamide
SMILESCn1ncc(C(N)=S)c1NC(=O)CC1CC2CCC1C2
InChIInChI=1S/C14H20N4OS/c1-18-14(11(7-16-18)13(15)20)17-12(19)6-10-5-8-2-3-9(10)4-8/h7-10H,2-6H2,1H3,(H2,15,20)(H,17,19)
InChIKeyVASPKULFFXFATO-UHFFFAOYSA-N
XLogP1.82
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 51.82
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

N-(4-carbamothioyl-1-methylpyrazol-5-yl)-2-cyclohexylacetamide
CID 79499236
2-[[2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]amino]benzamide
CID 98435271
2-(2-bicyclo[2.2.1]heptanyl)-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 19292382
2-(2-bicyclo[2.2.1]heptanyl)-N-(5-methyl-2-pyridinyl)acetamide
CID 51188825
N-(4-carbamothioyl-1-methylpyrazol-5-yl)-5-methyloxolane-2-carboxamide
CID 81330154
N-(4-carbamothioyl-1-methylpyrazol-5-yl)-2-methylpropanamide
CID 79500593
N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-2-(2-bicyclo[2.2.1]heptanyl)acetamide
CID 104592748
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(4-methyl-1H-pyrazol-5-yl)acetamide
CID 100573764
2-(2-bicyclo[2.2.1]heptanyl)-N-(2-bromo-4-carbamothioylphenyl)acetamide
CID 107789958
N-(4-acetamidophenyl)-2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetamide
CID 11914325
2-(2-bicyclo[2.2.1]heptanyl)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 51073156
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(3,5-dimethylphenyl)acetamide
CID 7774532

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-(4-carbamothioyl-1-methylpyrazol-5-yl)acetamide?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-(4-carbamothioyl-1-methylpyrazol-5-yl)acetamide (CID 79499674) is 2-(2-bicyclo[2.2.1]heptanyl)-N-(4-carbamothioyl-1-methylpyrazol-5-yl)acetamide.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-N-(4-carbamothioyl-1-methylpyrazol-5-yl)acetamide?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-N-(4-carbamothioyl-1-methylpyrazol-5-yl)acetamide is Cn1ncc(C(N)=S)c1NC(=O)CC1CC2CCC1C2.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-N-(4-carbamothioyl-1-methylpyrazol-5-yl)acetamide?
The InChIKey is VASPKULFFXFATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-18-14(11(7-16-18)13(15)20)17-12(19)6-10-5-8-2-3-9(10)4-8/h7-10H,2-6H2,1H3,(H2,15,20)(H,17,19).
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-N-(4-carbamothioyl-1-methylpyrazol-5-yl)acetamide?
2-(2-bicyclo[2.2.1]heptanyl)-N-(4-carbamothioyl-1-methylpyrazol-5-yl)acetamide has a molecular weight of 292.41 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)-N-(4-carbamothioyl-1-methylpyrazol-5-yl)acetamide is sourced from PubChem (CID 79499674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).