[1-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-1-oxopropan-2-yl] N,N'-diamino-N-cyclopropylcarbamimidothioate

C15H22N6O2S2 — CID 138577856

IUPAC[1-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-1-oxopropan-2-yl] N,N'-diamino-N-cyclopropylcarbamimidothioate
SMILESCC(S/C(=N/N)N(N)C1CC1)C(=O)Nc1sc2c(c1C(N)=O)CCC2
InChIInChI=1S/C15H22N6O2S2/c1-7(24-15(20-17)21(18)8-5-6-8)13(23)19-14-11(12(16)22)9-3-2-4-10(9)25-14/h7-8H,2-6,17-18H2,1H3,(H2,16,22)(H,19,23)/b20-15+
InChIKeyPZBYSCILJFKOOS-HMMYKYKNSA-N
MW382.52 g/mol
LogP0.96
Rot. Bonds5

About [1-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-1-oxopropan-2-yl] N,N'-diamino-N-cyclopropylcarbamimidothioate

[1-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-1-oxopropan-2-yl] N,N'-diamino-N-cyclopropylcarbamimidothioate (PubChem CID 138577856) has the molecular formula C15H22N6O2S2 and a molecular weight of 382.52 g/mol. Its IUPAC name is [1-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-1-oxopropan-2-yl] N,N'-diamino-N-cyclopropylcarbamimidothioate.

Molecular Properties

Compound Name[1-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-1-oxopropan-2-yl] N,N'-diamino-N-cyclopropylcarbamimidothioate
PubChem CID138577856
Molecular FormulaC15H22N6O2S2
Molecular Weight382.52 g/mol
Exact Mass382.12
IUPAC Name[1-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-1-oxopropan-2-yl] N,N'-diamino-N-cyclopropylcarbamimidothioate
SMILESCC(S/C(=N/N)N(N)C1CC1)C(=O)Nc1sc2c(c1C(N)=O)CCC2
InChIInChI=1S/C15H22N6O2S2/c1-7(24-15(20-17)21(18)8-5-6-8)13(23)19-14-11(12(16)22)9-3-2-4-10(9)25-14/h7-8H,2-6,17-18H2,1H3,(H2,16,22)(H,19,23)/b20-15+
InChIKeyPZBYSCILJFKOOS-HMMYKYKNSA-N
XLogP0.96
TPSA139.83 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.52
LogP ≤ 50.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [1-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-1-oxopropan-2-yl] N,N'-diamino-N-cyclopropylcarbamimidothioate 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

2-[(2-bromo-3-methylbutanoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 43470534
2-[[(2S)-2-(1-cyclopropyltetrazol-5-yl)sulfanylpropanoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 9450138
2-[[(2S)-2-(4-methylpiperidin-1-yl)propanoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 9444091
2-[[(2R)-2-(4-acetamidophenyl)sulfanylpropanoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 8948769
2-[[(2R)-2-pyrrolidin-1-ylpropanoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 9275032
2-[[(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]propanoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 9249138
2-[[(2S)-2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)propanoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 17390390
2-[[(2S)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propanoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 9430918
[(2R)-1-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-1-oxopropan-2-yl] (1R)-cyclohex-3-ene-1-carboxylate
CID 8948042
2-[[(2R)-2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]propanoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 41155014
2-(3-methylbutanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 741163
ethyl (3R)-1-[(2S)-1-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-1-oxopropan-2-yl]piperidin-1-ium-3-carboxylate
CID 9444766

Frequently Asked Questions

What is the IUPAC name of [1-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-1-oxopropan-2-yl] N,N'-diamino-N-cyclopropylcarbamimidothioate?
The IUPAC name of [1-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-1-oxopropan-2-yl] N,N'-diamino-N-cyclopropylcarbamimidothioate (CID 138577856) is [1-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-1-oxopropan-2-yl] N,N'-diamino-N-cyclopropylcarbamimidothioate.
What is the SMILES notation for [1-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-1-oxopropan-2-yl] N,N'-diamino-N-cyclopropylcarbamimidothioate?
The canonical SMILES for [1-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-1-oxopropan-2-yl] N,N'-diamino-N-cyclopropylcarbamimidothioate is CC(S/C(=N/N)N(N)C1CC1)C(=O)Nc1sc2c(c1C(N)=O)CCC2.
What is the InChIKey of [1-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-1-oxopropan-2-yl] N,N'-diamino-N-cyclopropylcarbamimidothioate?
The InChIKey is PZBYSCILJFKOOS-HMMYKYKNSA-N. The full InChI is InChI=1S/C15H22N6O2S2/c1-7(24-15(20-17)21(18)8-5-6-8)13(23)19-14-11(12(16)22)9-3-2-4-10(9)25-14/h7-8H,2-6,17-18H2,1H3,(H2,16,22)(H,19,23)/b20-15+.
What are the key properties of [1-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-1-oxopropan-2-yl] N,N'-diamino-N-cyclopropylcarbamimidothioate?
[1-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-1-oxopropan-2-yl] N,N'-diamino-N-cyclopropylcarbamimidothioate has a molecular weight of 382.52 g/mol, XLogP of 0.96, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-1-oxopropan-2-yl] N,N'-diamino-N-cyclopropylcarbamimidothioate is sourced from PubChem (CID 138577856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).