1-carbamothioyl-N-pyridin-4-ylcyclopropane-1-carboxamide

C10H11N3OS — CID 80592502

IUPAC1-carbamothioyl-N-pyridin-4-ylcyclopropane-1-carboxamide
SMILESNC(=S)C1(C(=O)Nc2ccncc2)CC1
InChIInChI=1S/C10H11N3OS/c11-8(15)10(3-4-10)9(14)13-7-1-5-12-6-2-7/h1-2,5-6H,3-4H2,(H2,11,15)(H,12,13,14)
InChIKeyOJMHUYSNWQAOFF-UHFFFAOYSA-N
MW221.29 g/mol
LogP1.09
Rot. Bonds3

About 1-carbamothioyl-N-pyridin-4-ylcyclopropane-1-carboxamide

1-carbamothioyl-N-pyridin-4-ylcyclopropane-1-carboxamide (PubChem CID 80592502) has the molecular formula C10H11N3OS and a molecular weight of 221.29 g/mol. Its IUPAC name is 1-carbamothioyl-N-pyridin-4-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-carbamothioyl-N-pyridin-4-ylcyclopropane-1-carboxamide
PubChem CID80592502
Molecular FormulaC10H11N3OS
Molecular Weight221.29 g/mol
Exact Mass221.06
IUPAC Name1-carbamothioyl-N-pyridin-4-ylcyclopropane-1-carboxamide
SMILESNC(=S)C1(C(=O)Nc2ccncc2)CC1
InChIInChI=1S/C10H11N3OS/c11-8(15)10(3-4-10)9(14)13-7-1-5-12-6-2-7/h1-2,5-6H,3-4H2,(H2,11,15)(H,12,13,14)
InChIKeyOJMHUYSNWQAOFF-UHFFFAOYSA-N
XLogP1.09
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.29
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-carbamothioyl-3-methyl-N-pyridin-4-ylcyclobutane-1-carboxamide
CID 80592616
1-carbamothioyl-N-[4-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide
CID 80592600
1-carbamothioyl-N-(3,5-dichlorophenyl)cyclopropane-1-carboxamide
CID 80591867
1-carbamothioyl-N-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide
CID 80589522
1-carbamothioyl-N-(3,4,5-trifluorophenyl)cyclopropane-1-carboxamide
CID 80590029
1-carbamothioyl-N-(3-methyl-4-pyridinyl)cyclobutane-1-carboxamide
CID 80591376
1-amino-N-pyridin-4-ylcyclohexane-1-carboxamide;dihydrochloride
CID 119827128
N-(3-bromo-5-methylphenyl)-1-carbamothioylcyclopropane-1-carboxamide
CID 107583687
1-carbamothioyl-N-(6-ethoxy-3-pyridinyl)cyclopropane-1-carboxamide
CID 80590260
1-carbamothioyl-N-[3-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide
CID 80591887
1-carbamothioyl-N-(3,4-dimethoxyphenyl)cyclobutane-1-carboxamide
CID 80591866
1-(aminomethyl)-N-pyridin-4-ylcyclobutane-1-carboxamide
CID 80587391

Frequently Asked Questions

What is the IUPAC name of 1-carbamothioyl-N-pyridin-4-ylcyclopropane-1-carboxamide?
The IUPAC name of 1-carbamothioyl-N-pyridin-4-ylcyclopropane-1-carboxamide (CID 80592502) is 1-carbamothioyl-N-pyridin-4-ylcyclopropane-1-carboxamide.
What is the SMILES notation for 1-carbamothioyl-N-pyridin-4-ylcyclopropane-1-carboxamide?
The canonical SMILES for 1-carbamothioyl-N-pyridin-4-ylcyclopropane-1-carboxamide is NC(=S)C1(C(=O)Nc2ccncc2)CC1.
What is the InChIKey of 1-carbamothioyl-N-pyridin-4-ylcyclopropane-1-carboxamide?
The InChIKey is OJMHUYSNWQAOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3OS/c11-8(15)10(3-4-10)9(14)13-7-1-5-12-6-2-7/h1-2,5-6H,3-4H2,(H2,11,15)(H,12,13,14).
What are the key properties of 1-carbamothioyl-N-pyridin-4-ylcyclopropane-1-carboxamide?
1-carbamothioyl-N-pyridin-4-ylcyclopropane-1-carboxamide has a molecular weight of 221.29 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamothioyl-N-pyridin-4-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 80592502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).