2-aminoguanidine;(5-amino-1H-pyrazol-4-yl)-thiophen-2-ylmethanone;(Z)-3-(dimethylamino)-2-isocyano-1-thiophen-2-ylprop-2-en-1-one

C19H23N9O2S2 — CID 158056404

IUPAC2-aminoguanidine;(5-amino-1H-pyrazol-4-yl)-thiophen-2-ylmethanone;(Z)-3-(dimethylamino)-2-isocyano-1-thiophen-2-ylprop-2-en-1-one
SMILESNN=C(N)N.Nc1[nH]ncc1C(=O)c1cccs1.[C-]#[N+]/C(=C\N(C)C)C(=O)c1cccs1
InChIInChI=1S/C10H10N2OS.C8H7N3OS.CH6N4/c1-11-8(7-12(2)3)10(13)9-5-4-6-14-9;9-8-5(4-10-11-8)7(12)6-2-1-3-13-6;2-1(3)5-4/h4-7H,2-3H3;1-4H,(H3,9,10,11);4H2,(H4,2,3,5)/b8-7-;;
InChIKeyFKCKGLHVHAPEQG-OTMFCZTRSA-N
MW473.59 g/mol
LogP1.67
Rot. Bonds5

About 2-aminoguanidine;(5-amino-1H-pyrazol-4-yl)-thiophen-2-ylmethanone;(Z)-3-(dimethylamino)-2-isocyano-1-thiophen-2-ylprop-2-en-1-one

2-aminoguanidine;(5-amino-1H-pyrazol-4-yl)-thiophen-2-ylmethanone;(Z)-3-(dimethylamino)-2-isocyano-1-thiophen-2-ylprop-2-en-1-one (PubChem CID 158056404) has the molecular formula C19H23N9O2S2 and a molecular weight of 473.59 g/mol. Its IUPAC name is 2-aminoguanidine;(5-amino-1H-pyrazol-4-yl)-thiophen-2-ylmethanone;(Z)-3-(dimethylamino)-2-isocyano-1-thiophen-2-ylprop-2-en-1-one.

Molecular Properties

Compound Name2-aminoguanidine;(5-amino-1H-pyrazol-4-yl)-thiophen-2-ylmethanone;(Z)-3-(dimethylamino)-2-isocyano-1-thiophen-2-ylprop-2-en-1-one
PubChem CID158056404
Molecular FormulaC19H23N9O2S2
Molecular Weight473.59 g/mol
Exact Mass473.14
IUPAC Name2-aminoguanidine;(5-amino-1H-pyrazol-4-yl)-thiophen-2-ylmethanone;(Z)-3-(dimethylamino)-2-isocyano-1-thiophen-2-ylprop-2-en-1-one
SMILESNN=C(N)N.Nc1[nH]ncc1C(=O)c1cccs1.[C-]#[N+]/C(=C\N(C)C)C(=O)c1cccs1
InChIInChI=1S/C10H10N2OS.C8H7N3OS.CH6N4/c1-11-8(7-12(2)3)10(13)9-5-4-6-14-9;9-8-5(4-10-11-8)7(12)6-2-1-3-13-6;2-1(3)5-4/h4-7H,2-3H3;1-4H,(H3,9,10,11);4H2,(H4,2,3,5)/b8-7-;;
InChIKeyFKCKGLHVHAPEQG-OTMFCZTRSA-N
XLogP1.67
TPSA186.86 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.59
LogP ≤ 51.67
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-aminoguanidine;(5-amino-1H-pyrazol-4-yl)-thiophen-2-ylmethanone;(Z)-3-(dimethylamino)-2-isocyano-1-thiophen-2-ylprop-2-en-1-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-aminoguanidine;(5-amino-1H-pyrazol-4-yl)-thiophen-2-ylmethanone;(Z)-3-(dimethylamino)-2-isocyano-1-thiophen-2-ylprop-2-en-1-one?
The IUPAC name of 2-aminoguanidine;(5-amino-1H-pyrazol-4-yl)-thiophen-2-ylmethanone;(Z)-3-(dimethylamino)-2-isocyano-1-thiophen-2-ylprop-2-en-1-one (CID 158056404) is 2-aminoguanidine;(5-amino-1H-pyrazol-4-yl)-thiophen-2-ylmethanone;(Z)-3-(dimethylamino)-2-isocyano-1-thiophen-2-ylprop-2-en-1-one.
What is the SMILES notation for 2-aminoguanidine;(5-amino-1H-pyrazol-4-yl)-thiophen-2-ylmethanone;(Z)-3-(dimethylamino)-2-isocyano-1-thiophen-2-ylprop-2-en-1-one?
The canonical SMILES for 2-aminoguanidine;(5-amino-1H-pyrazol-4-yl)-thiophen-2-ylmethanone;(Z)-3-(dimethylamino)-2-isocyano-1-thiophen-2-ylprop-2-en-1-one is NN=C(N)N.Nc1[nH]ncc1C(=O)c1cccs1.[C-]#[N+]/C(=C\N(C)C)C(=O)c1cccs1.
What is the InChIKey of 2-aminoguanidine;(5-amino-1H-pyrazol-4-yl)-thiophen-2-ylmethanone;(Z)-3-(dimethylamino)-2-isocyano-1-thiophen-2-ylprop-2-en-1-one?
The InChIKey is FKCKGLHVHAPEQG-OTMFCZTRSA-N. The full InChI is InChI=1S/C10H10N2OS.C8H7N3OS.CH6N4/c1-11-8(7-12(2)3)10(13)9-5-4-6-14-9;9-8-5(4-10-11-8)7(12)6-2-1-3-13-6;2-1(3)5-4/h4-7H,2-3H3;1-4H,(H3,9,10,11);4H2,(H4,2,3,5)/b8-7-;;.
What are the key properties of 2-aminoguanidine;(5-amino-1H-pyrazol-4-yl)-thiophen-2-ylmethanone;(Z)-3-(dimethylamino)-2-isocyano-1-thiophen-2-ylprop-2-en-1-one?
2-aminoguanidine;(5-amino-1H-pyrazol-4-yl)-thiophen-2-ylmethanone;(Z)-3-(dimethylamino)-2-isocyano-1-thiophen-2-ylprop-2-en-1-one has a molecular weight of 473.59 g/mol, XLogP of 1.67, 5 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoguanidine;(5-amino-1H-pyrazol-4-yl)-thiophen-2-ylmethanone;(Z)-3-(dimethylamino)-2-isocyano-1-thiophen-2-ylprop-2-en-1-one is sourced from PubChem (CID 158056404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).