1-carbamothioyl-N-(6-ethoxy-3-pyridinyl)cyclopropane-1-carboxamide

C12H15N3O2S — CID 80590260

IUPAC1-carbamothioyl-N-(6-ethoxy-3-pyridinyl)cyclopropane-1-carboxamide
SMILESCCOc1ccc(NC(=O)C2(C(N)=S)CC2)cn1
InChIInChI=1S/C12H15N3O2S/c1-2-17-9-4-3-8(7-14-9)15-11(16)12(5-6-12)10(13)18/h3-4,7H,2,5-6H2,1H3,(H2,13,18)(H,15,16)
InChIKeyGOMJDODCFZCWLQ-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.49
Rot. Bonds5

About 1-carbamothioyl-N-(6-ethoxy-3-pyridinyl)cyclopropane-1-carboxamide

1-carbamothioyl-N-(6-ethoxy-3-pyridinyl)cyclopropane-1-carboxamide (PubChem CID 80590260) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is 1-carbamothioyl-N-(6-ethoxy-3-pyridinyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-carbamothioyl-N-(6-ethoxy-3-pyridinyl)cyclopropane-1-carboxamide
PubChem CID80590260
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC Name1-carbamothioyl-N-(6-ethoxy-3-pyridinyl)cyclopropane-1-carboxamide
SMILESCCOc1ccc(NC(=O)C2(C(N)=S)CC2)cn1
InChIInChI=1S/C12H15N3O2S/c1-2-17-9-4-3-8(7-14-9)15-11(16)12(5-6-12)10(13)18/h3-4,7H,2,5-6H2,1H3,(H2,13,18)(H,15,16)
InChIKeyGOMJDODCFZCWLQ-UHFFFAOYSA-N
XLogP1.49
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.49
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-4-ylcyclopropane-1-carboxamide
CID 80592502
1-carbamothioyl-N-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide
CID 80589522
1-cyclopropyl-3-(6-ethoxy-3-pyridinyl)urea
CID 115687753
N-(6-butoxy-3-pyridinyl)-1-methoxycyclopentane-1-carboxamide
CID 100775055
N-(6-ethoxy-3-pyridinyl)-1-(4-nitrophenyl)cyclohexane-1-carboxamide
CID 100770596
(2S)-2-amino-N-(6-ethoxy-3-pyridinyl)pentanamide
CID 107570145
(2R)-2-amino-N-(6-ethoxy-3-pyridinyl)-3,3-dimethylbutanamide
CID 113353541
4-amino-N-(6-ethoxy-3-pyridinyl)-3-methylbutanamide
CID 81080925
trans-(1R,3S)-N-(6-ethoxy-3-pyridinyl)-3-methyl-1-propoxycyclohexane-1-carboxamide
CID 100778455
1-amino-N-[6-(2-methoxyethoxy)-3-pyridinyl]cyclohexane-1-carboxamide
CID 43704144
3-methyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrrolidine-3-carboxamide
CID 63139677
1-(aminomethyl)-N-[6-(2-methoxyethoxy)-3-pyridinyl]cyclopentane-1-carboxamide
CID 115434828

Frequently Asked Questions

What is the IUPAC name of 1-carbamothioyl-N-(6-ethoxy-3-pyridinyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-carbamothioyl-N-(6-ethoxy-3-pyridinyl)cyclopropane-1-carboxamide (CID 80590260) is 1-carbamothioyl-N-(6-ethoxy-3-pyridinyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-carbamothioyl-N-(6-ethoxy-3-pyridinyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-carbamothioyl-N-(6-ethoxy-3-pyridinyl)cyclopropane-1-carboxamide is CCOc1ccc(NC(=O)C2(C(N)=S)CC2)cn1.
What is the InChIKey of 1-carbamothioyl-N-(6-ethoxy-3-pyridinyl)cyclopropane-1-carboxamide?
The InChIKey is GOMJDODCFZCWLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-2-17-9-4-3-8(7-14-9)15-11(16)12(5-6-12)10(13)18/h3-4,7H,2,5-6H2,1H3,(H2,13,18)(H,15,16).
What are the key properties of 1-carbamothioyl-N-(6-ethoxy-3-pyridinyl)cyclopropane-1-carboxamide?
1-carbamothioyl-N-(6-ethoxy-3-pyridinyl)cyclopropane-1-carboxamide has a molecular weight of 265.34 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamothioyl-N-(6-ethoxy-3-pyridinyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 80590260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).