N-(4-ethylpiperazine-1-carbothioyl)thiophene-2-carboxamide

C12H17N3OS2 — CID 801818

IUPACN-(4-ethylpiperazine-1-carbothioyl)thiophene-2-carboxamide
SMILESCCN1CCN(C(=S)NC(=O)c2cccs2)CC1
InChIInChI=1S/C12H17N3OS2/c1-2-14-5-7-15(8-6-14)12(17)13-11(16)10-4-3-9-18-10/h3-4,9H,2,5-8H2,1H3,(H,13,16,17)
InChIKeyAQERCXXEQQSGHI-UHFFFAOYSA-N
MW283.42 g/mol
LogP1.40
Rot. Bonds2

About N-(4-ethylpiperazine-1-carbothioyl)thiophene-2-carboxamide

N-(4-ethylpiperazine-1-carbothioyl)thiophene-2-carboxamide (PubChem CID 801818) has the molecular formula C12H17N3OS2 and a molecular weight of 283.42 g/mol. Its IUPAC name is N-(4-ethylpiperazine-1-carbothioyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-ethylpiperazine-1-carbothioyl)thiophene-2-carboxamide
PubChem CID801818
Molecular FormulaC12H17N3OS2
Molecular Weight283.42 g/mol
Exact Mass283.08
IUPAC NameN-(4-ethylpiperazine-1-carbothioyl)thiophene-2-carboxamide
SMILESCCN1CCN(C(=S)NC(=O)c2cccs2)CC1
InChIInChI=1S/C12H17N3OS2/c1-2-14-5-7-15(8-6-14)12(17)13-11(16)10-4-3-9-18-10/h3-4,9H,2,5-8H2,1H3,(H,13,16,17)
InChIKeyAQERCXXEQQSGHI-UHFFFAOYSA-N
XLogP1.40
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(4-ethylpiperazine-1-carbothioyl)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-[4-(4-ethylpiperazin-1-yl)phenyl]thiophene-2-carboxamide
CID 7341667
N-[3-[3-(4-ethylpiperazin-1-yl)propylamino]-3-oxopropyl]thiophene-2-carboxamide
CID 55660267
3-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-1-one
CID 94270119
N-[(1S,2R)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]thiophene-2-carboxamide
CID 28821030
4-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylbutan-1-one
CID 43229376
N-[[1-(4-ethylpiperazin-1-yl)cyclohexyl]methyl]thiophene-2-carboxamide
CID 35672039
N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]thiophene-2-carboxamide
CID 969199
N-[3-[(4-ethylpiperazin-1-yl)methyl]-4,5-dimethylthiophen-2-yl]thiophene-2-carboxamide
CID 46740474
N-(2-methylpiperidine-1-carbothioyl)thiophene-2-carboxamide
CID 5201242
N-[(1-ethylpyrrolidin-3-yl)methyl]thiophene-2-carboxamide
CID 61242837
N-[4-[[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 55375941
(4-methylpiperazin-1-yl)-thiophen-2-ylmethanone;propane
CID 142296627

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylpiperazine-1-carbothioyl)thiophene-2-carboxamide?
The IUPAC name of N-(4-ethylpiperazine-1-carbothioyl)thiophene-2-carboxamide (CID 801818) is N-(4-ethylpiperazine-1-carbothioyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(4-ethylpiperazine-1-carbothioyl)thiophene-2-carboxamide?
The canonical SMILES for N-(4-ethylpiperazine-1-carbothioyl)thiophene-2-carboxamide is CCN1CCN(C(=S)NC(=O)c2cccs2)CC1.
What is the InChIKey of N-(4-ethylpiperazine-1-carbothioyl)thiophene-2-carboxamide?
The InChIKey is AQERCXXEQQSGHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS2/c1-2-14-5-7-15(8-6-14)12(17)13-11(16)10-4-3-9-18-10/h3-4,9H,2,5-8H2,1H3,(H,13,16,17).
What are the key properties of N-(4-ethylpiperazine-1-carbothioyl)thiophene-2-carboxamide?
N-(4-ethylpiperazine-1-carbothioyl)thiophene-2-carboxamide has a molecular weight of 283.42 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylpiperazine-1-carbothioyl)thiophene-2-carboxamide is sourced from PubChem (CID 801818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).