1-carbamothioyl-N-(2-imidazol-1-ylethyl)cyclopropane-1-carboxamide

C10H14N4OS — CID 80589712

IUPAC1-carbamothioyl-N-(2-imidazol-1-ylethyl)cyclopropane-1-carboxamide
SMILESNC(=S)C1(C(=O)NCCn2ccnc2)CC1
InChIInChI=1S/C10H14N4OS/c11-8(16)10(1-2-10)9(15)13-4-6-14-5-3-12-7-14/h3,5,7H,1-2,4,6H2,(H2,11,16)(H,13,15)
InChIKeyAJVJZOASXFTBPK-UHFFFAOYSA-N
MW238.32 g/mol
LogP0.07
Rot. Bonds5

About 1-carbamothioyl-N-(2-imidazol-1-ylethyl)cyclopropane-1-carboxamide

1-carbamothioyl-N-(2-imidazol-1-ylethyl)cyclopropane-1-carboxamide (PubChem CID 80589712) has the molecular formula C10H14N4OS and a molecular weight of 238.32 g/mol. Its IUPAC name is 1-carbamothioyl-N-(2-imidazol-1-ylethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-carbamothioyl-N-(2-imidazol-1-ylethyl)cyclopropane-1-carboxamide
PubChem CID80589712
Molecular FormulaC10H14N4OS
Molecular Weight238.32 g/mol
Exact Mass238.09
IUPAC Name1-carbamothioyl-N-(2-imidazol-1-ylethyl)cyclopropane-1-carboxamide
SMILESNC(=S)C1(C(=O)NCCn2ccnc2)CC1
InChIInChI=1S/C10H14N4OS/c11-8(16)10(1-2-10)9(15)13-4-6-14-5-3-12-7-14/h3,5,7H,1-2,4,6H2,(H2,11,16)(H,13,15)
InChIKeyAJVJZOASXFTBPK-UHFFFAOYSA-N
XLogP0.07
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.32
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-carbamothioyl-N-(2-imidazol-1-ylethyl)cyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-carbamothioyl-N-(2-imidazol-1-ylethyl)cyclobutane-1-carboxamide
CID 80589798
1-(aminomethyl)-N-(2-imidazol-1-ylethyl)cyclopropane-1-carboxamide
CID 80588119
1-[(E)-N'-hydroxycarbamimidoyl]-N-(4-imidazol-1-ylbutyl)cyclopropane-1-carboxamide
CID 80597034
1-(4-imidazol-1-ylbutylcarbamoyl)cyclopropane-1-carboxylic acid
CID 62097000
2-imidazol-1-ylethylurea
CID 61061185
3-amino-N-(2-imidazol-1-ylethyl)-3-sulfanylidenepropanamide
CID 61460885
1-cyano-N-(2-imidazol-1-ylethyl)cyclopentane-1-carboxamide
CID 60717326
N-(2-imidazol-1-ylethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63710927
N-(2-imidazol-1-ylethyl)-3-propylpiperidine-3-carboxamide
CID 63135088
3-imidazol-1-ylpropylurea
CID 22179621
1-(2-imidazol-1-ylethyl)-3-methylurea
CID 58988197
2-amino-N-(2-imidazol-1-ylethyl)-2-methylpropanamide
CID 61325537

Frequently Asked Questions

What is the IUPAC name of 1-carbamothioyl-N-(2-imidazol-1-ylethyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-carbamothioyl-N-(2-imidazol-1-ylethyl)cyclopropane-1-carboxamide (CID 80589712) is 1-carbamothioyl-N-(2-imidazol-1-ylethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-carbamothioyl-N-(2-imidazol-1-ylethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-carbamothioyl-N-(2-imidazol-1-ylethyl)cyclopropane-1-carboxamide is NC(=S)C1(C(=O)NCCn2ccnc2)CC1.
What is the InChIKey of 1-carbamothioyl-N-(2-imidazol-1-ylethyl)cyclopropane-1-carboxamide?
The InChIKey is AJVJZOASXFTBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4OS/c11-8(16)10(1-2-10)9(15)13-4-6-14-5-3-12-7-14/h3,5,7H,1-2,4,6H2,(H2,11,16)(H,13,15).
What are the key properties of 1-carbamothioyl-N-(2-imidazol-1-ylethyl)cyclopropane-1-carboxamide?
1-carbamothioyl-N-(2-imidazol-1-ylethyl)cyclopropane-1-carboxamide has a molecular weight of 238.32 g/mol, XLogP of 0.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamothioyl-N-(2-imidazol-1-ylethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 80589712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).