2-[[ethylamino-[(5-ethylthiophen-2-yl)methylamino]methylidene]amino]-N-propylacetamide

C15H26N4OS — CID 111957381

IUPAC2-[[ethylamino-[(5-ethylthiophen-2-yl)methylamino]methylidene]amino]-N-propylacetamide
SMILESCCCNC(=O)C/N=C(\NCC)NCc1ccc(CC)s1
InChIInChI=1S/C15H26N4OS/c1-4-9-17-14(20)11-19-15(16-6-3)18-10-13-8-7-12(5-2)21-13/h7-8H,4-6,9-11H2,1-3H3,(H,17,20)(H2,16,18,19)
InChIKeyZUOKRPPCLWUPSX-UHFFFAOYSA-N
MW310.47 g/mol
LogP1.89
Rot. Bonds8

About 2-[[ethylamino-[(5-ethylthiophen-2-yl)methylamino]methylidene]amino]-N-propylacetamide

2-[[ethylamino-[(5-ethylthiophen-2-yl)methylamino]methylidene]amino]-N-propylacetamide (PubChem CID 111957381) has the molecular formula C15H26N4OS and a molecular weight of 310.47 g/mol. Its IUPAC name is 2-[[ethylamino-[(5-ethylthiophen-2-yl)methylamino]methylidene]amino]-N-propylacetamide.

Molecular Properties

Compound Name2-[[ethylamino-[(5-ethylthiophen-2-yl)methylamino]methylidene]amino]-N-propylacetamide
PubChem CID111957381
Molecular FormulaC15H26N4OS
Molecular Weight310.47 g/mol
Exact Mass310.18
IUPAC Name2-[[ethylamino-[(5-ethylthiophen-2-yl)methylamino]methylidene]amino]-N-propylacetamide
SMILESCCCNC(=O)C/N=C(\NCC)NCc1ccc(CC)s1
InChIInChI=1S/C15H26N4OS/c1-4-9-17-14(20)11-19-15(16-6-3)18-10-13-8-7-12(5-2)21-13/h7-8H,4-6,9-11H2,1-3H3,(H,17,20)(H2,16,18,19)
InChIKeyZUOKRPPCLWUPSX-UHFFFAOYSA-N
XLogP1.89
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.47
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-[[ethylamino-[(5-ethylthiophen-2-yl)methylamino]methylidene]amino]-N-propylacetamide 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-ethyl-2-[[ethylamino-[(5-ethylthiophen-2-yl)methylamino]methylidene]amino]acetamide
CID 111957001
N-cyclopropyl-2-[[ethylamino-[(5-ethylthiophen-2-yl)methylamino]methylidene]amino]acetamide;hydroiodide
CID 111957482
1-ethyl-3-[(5-ethylthiophen-2-yl)methyl]-2-methylguanidine
CID 111953365
2-[[butylamino(ethylamino)methylidene]amino]-N-propylacetamide
CID 111152104
N-[2-[[N-ethyl-N'-[(5-ethylthiophen-2-yl)methyl]carbamimidoyl]amino]ethyl]acetamide
CID 111956547
2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-1-ethyl-3-[(5-ethylthiophen-2-yl)methyl]guanidine
CID 111957727
2-[[ethylamino-[(5-methylthiophen-2-yl)methylamino]methylidene]amino]-N-(2,3,4-trifluorophenyl)acetamide;hydroiodide
CID 111898652
2-[[ethylamino-[(5-methylthiophen-2-yl)methylamino]methylidene]amino]-N-(4-fluorophenyl)acetamide;hydroiodide
CID 111897822
N-ethyl-4-[[[N-[(5-ethylthiophen-2-yl)methyl]-N'-methylcarbamimidoyl]amino]methyl]benzamide
CID 111956581
1-ethyl-3-[(5-ethylthiophen-2-yl)methyl]-2-[(4-methoxyphenyl)methyl]guanidine;hydroiodide
CID 111183329
2-[[ethylamino-(3-phenylpropylamino)methylidene]amino]-N-propylacetamide
CID 111199790
methyl 3-[[N-ethyl-N'-[(5-ethylthiophen-2-yl)methyl]carbamimidoyl]amino]propanoate
CID 111956995

Frequently Asked Questions

What is the IUPAC name of 2-[[ethylamino-[(5-ethylthiophen-2-yl)methylamino]methylidene]amino]-N-propylacetamide?
The IUPAC name of 2-[[ethylamino-[(5-ethylthiophen-2-yl)methylamino]methylidene]amino]-N-propylacetamide (CID 111957381) is 2-[[ethylamino-[(5-ethylthiophen-2-yl)methylamino]methylidene]amino]-N-propylacetamide.
What is the SMILES notation for 2-[[ethylamino-[(5-ethylthiophen-2-yl)methylamino]methylidene]amino]-N-propylacetamide?
The canonical SMILES for 2-[[ethylamino-[(5-ethylthiophen-2-yl)methylamino]methylidene]amino]-N-propylacetamide is CCCNC(=O)C/N=C(\NCC)NCc1ccc(CC)s1.
What is the InChIKey of 2-[[ethylamino-[(5-ethylthiophen-2-yl)methylamino]methylidene]amino]-N-propylacetamide?
The InChIKey is ZUOKRPPCLWUPSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4OS/c1-4-9-17-14(20)11-19-15(16-6-3)18-10-13-8-7-12(5-2)21-13/h7-8H,4-6,9-11H2,1-3H3,(H,17,20)(H2,16,18,19).
What are the key properties of 2-[[ethylamino-[(5-ethylthiophen-2-yl)methylamino]methylidene]amino]-N-propylacetamide?
2-[[ethylamino-[(5-ethylthiophen-2-yl)methylamino]methylidene]amino]-N-propylacetamide has a molecular weight of 310.47 g/mol, XLogP of 1.89, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethylamino-[(5-ethylthiophen-2-yl)methylamino]methylidene]amino]-N-propylacetamide is sourced from PubChem (CID 111957381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).