N-(hexylcarbamothioyl)thiophene-2-carboxamide

C12H18N2OS2 — CID 19187816

IUPACN-(hexylcarbamothioyl)thiophene-2-carboxamide
SMILESCCCCCCNC(=S)NC(=O)c1cccs1
InChIInChI=1S/C12H18N2OS2/c1-2-3-4-5-8-13-12(16)14-11(15)10-7-6-9-17-10/h6-7,9H,2-5,8H2,1H3,(H2,13,14,15,16)
InChIKeyMAMFNLCGCQQZCD-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.93
Rot. Bonds6

About N-(hexylcarbamothioyl)thiophene-2-carboxamide

N-(hexylcarbamothioyl)thiophene-2-carboxamide (PubChem CID 19187816) has the molecular formula C12H18N2OS2 and a molecular weight of 270.42 g/mol. Its IUPAC name is N-(hexylcarbamothioyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(hexylcarbamothioyl)thiophene-2-carboxamide
PubChem CID19187816
Molecular FormulaC12H18N2OS2
Molecular Weight270.42 g/mol
Exact Mass270.09
IUPAC NameN-(hexylcarbamothioyl)thiophene-2-carboxamide
SMILESCCCCCCNC(=S)NC(=O)c1cccs1
InChIInChI=1S/C12H18N2OS2/c1-2-3-4-5-8-13-12(16)14-11(15)10-7-6-9-17-10/h6-7,9H,2-5,8H2,1H3,(H2,13,14,15,16)
InChIKeyMAMFNLCGCQQZCD-UHFFFAOYSA-N
XLogP2.93
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(hexylcarbamothioyl)thiophene-2-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

N-(pentylcarbamothioyl)thiophene-2-carboxamide
CID 19187814
N-[3-[(N-hexyl-N'-methylcarbamimidoyl)amino]propyl]thiophene-2-carboxamide
CID 111161643
N-[3-hydroxy-1-(octylamino)-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 123551290
N-[(4-heptoxyphenyl)carbamothioyl]thiophene-2-carboxamide
CID 4951604
N-(dodecylcarbamothioyl)furan-2-carboxamide
CID 10958704
N-[3-[[ethylamino-(pentylamino)methylidene]amino]propyl]thiophene-2-carboxamide;hydroiodide
CID 111130027
N-[(2,6-diethylphenyl)carbamothioyl]thiophene-2-carboxamide
CID 19187822
N-(heptylcarbamothioyl)-2-nitrobenzamide
CID 3498577
N-[[[4-(pentanoylamino)benzoyl]amino]carbamothioyl]thiophene-2-carboxamide
CID 2234389
N-[2-(4-sulfamoylphenyl)ethylcarbamothioyl]thiophene-2-carboxamide
CID 2271589
N-(heptylcarbamothioyl)-4-nitrobenzamide
CID 3480658
N-octyl-N-(thiophene-2-carbonyl)thiophene-2-carboxamide
CID 91704679

Frequently Asked Questions

What is the IUPAC name of N-(hexylcarbamothioyl)thiophene-2-carboxamide?
The IUPAC name of N-(hexylcarbamothioyl)thiophene-2-carboxamide (CID 19187816) is N-(hexylcarbamothioyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(hexylcarbamothioyl)thiophene-2-carboxamide?
The canonical SMILES for N-(hexylcarbamothioyl)thiophene-2-carboxamide is CCCCCCNC(=S)NC(=O)c1cccs1.
What is the InChIKey of N-(hexylcarbamothioyl)thiophene-2-carboxamide?
The InChIKey is MAMFNLCGCQQZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS2/c1-2-3-4-5-8-13-12(16)14-11(15)10-7-6-9-17-10/h6-7,9H,2-5,8H2,1H3,(H2,13,14,15,16).
What are the key properties of N-(hexylcarbamothioyl)thiophene-2-carboxamide?
N-(hexylcarbamothioyl)thiophene-2-carboxamide has a molecular weight of 270.42 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(hexylcarbamothioyl)thiophene-2-carboxamide is sourced from PubChem (CID 19187816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).