1-carbamothioyl-N-(thiatriazol-5-yl)cyclopentane-1-carboxamide

C8H11N5OS2 — CID 114912682

IUPAC1-carbamothioyl-N-(thiatriazol-5-yl)cyclopentane-1-carboxamide
SMILESNC(=S)C1(C(=O)Nc2nnns2)CCCC1
InChIInChI=1S/C8H11N5OS2/c9-5(15)8(3-1-2-4-8)6(14)10-7-11-12-13-16-7/h1-4H2,(H2,9,15)(H,10,11,13,14)
InChIKeyBYVPYRRKMZZBEX-UHFFFAOYSA-N
MW257.34 g/mol
LogP0.72
Rot. Bonds3

About 1-carbamothioyl-N-(thiatriazol-5-yl)cyclopentane-1-carboxamide

1-carbamothioyl-N-(thiatriazol-5-yl)cyclopentane-1-carboxamide (PubChem CID 114912682) has the molecular formula C8H11N5OS2 and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-carbamothioyl-N-(thiatriazol-5-yl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-carbamothioyl-N-(thiatriazol-5-yl)cyclopentane-1-carboxamide
PubChem CID114912682
Molecular FormulaC8H11N5OS2
Molecular Weight257.34 g/mol
Exact Mass257.04
IUPAC Name1-carbamothioyl-N-(thiatriazol-5-yl)cyclopentane-1-carboxamide
SMILESNC(=S)C1(C(=O)Nc2nnns2)CCCC1
InChIInChI=1S/C8H11N5OS2/c9-5(15)8(3-1-2-4-8)6(14)10-7-11-12-13-16-7/h1-4H2,(H2,9,15)(H,10,11,13,14)
InChIKeyBYVPYRRKMZZBEX-UHFFFAOYSA-N
XLogP0.72
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-carbamothioyl-N-(thiatriazol-5-yl)cyclobutane-1-carboxamide
CID 114912668
1-amino-N-(thiatriazol-5-yl)cyclopropane-1-carboxamide
CID 114912521
2-propyl-N-(thiatriazol-5-yl)pyrrolidine-2-carboxamide
CID 106975887
1-carbamothioyl-N-(thiadiazol-5-yl)cyclopropane-1-carboxamide
CID 114912664
1-carbamothioyl-N-(2,3,4,5,6-pentafluorophenyl)cyclobutane-1-carboxamide
CID 115564577
3-amino-2-methyl-3-sulfanylidene-N-(thiatriazol-5-yl)propanamide
CID 114912683
N-(5-bromo-6-methyl-2-pyridinyl)-1-carbamothioylcycloheptane-1-carboxamide
CID 79041182
2-amino-2-methyl-N-(thiatriazol-5-yl)propanamide
CID 114912485
1-carbamothioyl-N-(3-fluoro-5-methylphenyl)cyclohexane-1-carboxamide
CID 79049329
1-carbamothioyl-N-pyridin-4-ylcyclopropane-1-carboxamide
CID 80592502
N-(1H-benzimidazol-2-yl)-1-carbamothioylcyclopentane-1-carboxamide
CID 63563740
N-(5-bromo-3-methyl-2-pyridinyl)-1-carbamothioylcyclopentane-1-carboxamide
CID 83170534

Frequently Asked Questions

What is the IUPAC name of 1-carbamothioyl-N-(thiatriazol-5-yl)cyclopentane-1-carboxamide?
The IUPAC name of 1-carbamothioyl-N-(thiatriazol-5-yl)cyclopentane-1-carboxamide (CID 114912682) is 1-carbamothioyl-N-(thiatriazol-5-yl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-carbamothioyl-N-(thiatriazol-5-yl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-carbamothioyl-N-(thiatriazol-5-yl)cyclopentane-1-carboxamide is NC(=S)C1(C(=O)Nc2nnns2)CCCC1.
What is the InChIKey of 1-carbamothioyl-N-(thiatriazol-5-yl)cyclopentane-1-carboxamide?
The InChIKey is BYVPYRRKMZZBEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5OS2/c9-5(15)8(3-1-2-4-8)6(14)10-7-11-12-13-16-7/h1-4H2,(H2,9,15)(H,10,11,13,14).
What are the key properties of 1-carbamothioyl-N-(thiatriazol-5-yl)cyclopentane-1-carboxamide?
1-carbamothioyl-N-(thiatriazol-5-yl)cyclopentane-1-carboxamide has a molecular weight of 257.34 g/mol, XLogP of 0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamothioyl-N-(thiatriazol-5-yl)cyclopentane-1-carboxamide is sourced from PubChem (CID 114912682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).