1-carbamothioyl-N-(pyridazin-3-ylmethyl)cyclobutane-1-carboxamide

C11H14N4OS — CID 106896257

IUPAC1-carbamothioyl-N-(pyridazin-3-ylmethyl)cyclobutane-1-carboxamide
SMILESNC(=S)C1(C(=O)NCc2cccnn2)CCC1
InChIInChI=1S/C11H14N4OS/c12-9(17)11(4-2-5-11)10(16)13-7-8-3-1-6-14-15-8/h1,3,6H,2,4-5,7H2,(H2,12,17)(H,13,16)
InChIKeyOZLNOLDPKHJUTF-UHFFFAOYSA-N
MW250.33 g/mol
LogP0.55
Rot. Bonds4

About 1-carbamothioyl-N-(pyridazin-3-ylmethyl)cyclobutane-1-carboxamide

1-carbamothioyl-N-(pyridazin-3-ylmethyl)cyclobutane-1-carboxamide (PubChem CID 106896257) has the molecular formula C11H14N4OS and a molecular weight of 250.33 g/mol. Its IUPAC name is 1-carbamothioyl-N-(pyridazin-3-ylmethyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-carbamothioyl-N-(pyridazin-3-ylmethyl)cyclobutane-1-carboxamide
PubChem CID106896257
Molecular FormulaC11H14N4OS
Molecular Weight250.33 g/mol
Exact Mass250.09
IUPAC Name1-carbamothioyl-N-(pyridazin-3-ylmethyl)cyclobutane-1-carboxamide
SMILESNC(=S)C1(C(=O)NCc2cccnn2)CCC1
InChIInChI=1S/C11H14N4OS/c12-9(17)11(4-2-5-11)10(16)13-7-8-3-1-6-14-15-8/h1,3,6H,2,4-5,7H2,(H2,12,17)(H,13,16)
InChIKeyOZLNOLDPKHJUTF-UHFFFAOYSA-N
XLogP0.55
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 50.55
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-carbamothioyl-N-(pyridin-2-ylmethyl)cyclobutane-1-carboxamide
CID 80592731
4-[(E)-N'-hydroxycarbamimidoyl]-N-(pyridazin-3-ylmethyl)oxane-4-carboxamide
CID 106897399
3-methyl-N-(pyridazin-3-ylmethyl)piperidine-3-carboxamide
CID 106896221
1-carbamothioyl-N-(1,3-thiazol-4-ylmethyl)cyclopentane-1-carboxamide
CID 63824661
1-carbamothioyl-N-(1H-imidazol-2-ylmethyl)cyclopropane-1-carboxamide
CID 80591308
1-carbamothioyl-N-[(4-fluorophenyl)methyl]cyclopentane-1-carboxamide
CID 55037907
3-propyl-N-(pyridazin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 106896186
N-(pyridazin-3-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 106896124
1-[(pyridazin-3-ylmethylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
CID 106897054
3-amino-2,2-dimethyl-N-(pyridazin-3-ylmethyl)-3-sulfanylidenepropanamide
CID 106896266
N-[(4-bromothiophen-2-yl)methyl]-1-carbamothioylcyclobutane-1-carboxamide
CID 80591384
N-(pyridazin-3-ylmethyl)azetidine-3-carboxamide
CID 106896192

Frequently Asked Questions

What is the IUPAC name of 1-carbamothioyl-N-(pyridazin-3-ylmethyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-carbamothioyl-N-(pyridazin-3-ylmethyl)cyclobutane-1-carboxamide (CID 106896257) is 1-carbamothioyl-N-(pyridazin-3-ylmethyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-carbamothioyl-N-(pyridazin-3-ylmethyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-carbamothioyl-N-(pyridazin-3-ylmethyl)cyclobutane-1-carboxamide is NC(=S)C1(C(=O)NCc2cccnn2)CCC1.
What is the InChIKey of 1-carbamothioyl-N-(pyridazin-3-ylmethyl)cyclobutane-1-carboxamide?
The InChIKey is OZLNOLDPKHJUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4OS/c12-9(17)11(4-2-5-11)10(16)13-7-8-3-1-6-14-15-8/h1,3,6H,2,4-5,7H2,(H2,12,17)(H,13,16).
What are the key properties of 1-carbamothioyl-N-(pyridazin-3-ylmethyl)cyclobutane-1-carboxamide?
1-carbamothioyl-N-(pyridazin-3-ylmethyl)cyclobutane-1-carboxamide has a molecular weight of 250.33 g/mol, XLogP of 0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamothioyl-N-(pyridazin-3-ylmethyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 106896257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).