N-cyclopropyl-2-[[ethylamino-[(5-ethylthiophen-2-yl)methylamino]methylidene]amino]acetamide;hydroiodide

C15H25IN4OS — CID 111957482

IUPACN-cyclopropyl-2-[[ethylamino-[(5-ethylthiophen-2-yl)methylamino]methylidene]amino]acetamide;hydroiodide
SMILESCCN/C(=N\CC(=O)NC1CC1)NCc1ccc(CC)s1.I
InChIInChI=1S/C15H24N4OS.HI/c1-3-12-7-8-13(21-12)9-17-15(16-4-2)18-10-14(20)19-11-5-6-11;/h7-8,11H,3-6,9-10H2,1-2H3,(H,19,20)(H2,16,17,18);1H
InChIKeyWLZFHMNYQXKHEM-UHFFFAOYSA-N
MW436.36 g/mol
LogP2.26
Rot. Bonds7

About N-cyclopropyl-2-[[ethylamino-[(5-ethylthiophen-2-yl)methylamino]methylidene]amino]acetamide;hydroiodide

N-cyclopropyl-2-[[ethylamino-[(5-ethylthiophen-2-yl)methylamino]methylidene]amino]acetamide;hydroiodide (PubChem CID 111957482) has the molecular formula C15H25IN4OS and a molecular weight of 436.36 g/mol. Its IUPAC name is N-cyclopropyl-2-[[ethylamino-[(5-ethylthiophen-2-yl)methylamino]methylidene]amino]acetamide;hydroiodide.

Molecular Properties

Compound NameN-cyclopropyl-2-[[ethylamino-[(5-ethylthiophen-2-yl)methylamino]methylidene]amino]acetamide;hydroiodide
PubChem CID111957482
Molecular FormulaC15H25IN4OS
Molecular Weight436.36 g/mol
Exact Mass436.08
IUPAC NameN-cyclopropyl-2-[[ethylamino-[(5-ethylthiophen-2-yl)methylamino]methylidene]amino]acetamide;hydroiodide
SMILESCCN/C(=N\CC(=O)NC1CC1)NCc1ccc(CC)s1.I
InChIInChI=1S/C15H24N4OS.HI/c1-3-12-7-8-13(21-12)9-17-15(16-4-2)18-10-14(20)19-11-5-6-11;/h7-8,11H,3-6,9-10H2,1-2H3,(H,19,20)(H2,16,17,18);1H
InChIKeyWLZFHMNYQXKHEM-UHFFFAOYSA-N
XLogP2.26
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.36
LogP ≤ 52.26
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2-[[ethylamino-[(5-ethylthiophen-2-yl)methylamino]methylidene]amino]acetamide
CID 111957001
2-[[ethylamino-[(5-ethylthiophen-2-yl)methylamino]methylidene]amino]-N-propylacetamide
CID 111957381
N-cyclopropyl-2-[[ethylamino-[(5-methyl-1,3-thiazol-2-yl)methylamino]methylidene]amino]acetamide
CID 111524852
N-cyclopentyl-3-[[N-[(5-ethylthiophen-2-yl)methyl]-N'-methylcarbamimidoyl]amino]propanamide;hydroiodide
CID 111957672
N-cyclohexyl-2-[[N-[(5-ethylthiophen-2-yl)methyl]-N'-methylcarbamimidoyl]amino]acetamide
CID 111956745
2-[[(cyclopentylamino)-(ethylamino)methylidene]amino]-N-cyclopropylacetamide;hydroiodide
CID 110992178
2-[[(cyclopropylamino)-(ethylamino)methylidene]amino]-N-ethylacetamide;hydroiodide
CID 110989030
1-ethyl-3-[(5-ethylthiophen-2-yl)methyl]-2-methylguanidine
CID 111953365
N-cyclopropyl-2-[[ethylamino-(1-phenylethylamino)methylidene]amino]acetamide;hydroiodide
CID 110949777
N-cyclopropyl-2-[[ethylamino-[2-(4-fluorophenoxy)propylamino]methylidene]amino]acetamide
CID 111678470
2-[[[2-(4-tert-butylphenyl)ethylamino]-(ethylamino)methylidene]amino]-N-cyclopropylacetamide
CID 111891963
ethyl 4-[[N-[(5-ethylthiophen-2-yl)methyl]-N'-methylcarbamimidoyl]amino]piperidine-1-carboxylate
CID 111327320

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[[ethylamino-[(5-ethylthiophen-2-yl)methylamino]methylidene]amino]acetamide;hydroiodide?
The IUPAC name of N-cyclopropyl-2-[[ethylamino-[(5-ethylthiophen-2-yl)methylamino]methylidene]amino]acetamide;hydroiodide (CID 111957482) is N-cyclopropyl-2-[[ethylamino-[(5-ethylthiophen-2-yl)methylamino]methylidene]amino]acetamide;hydroiodide.
What is the SMILES notation for N-cyclopropyl-2-[[ethylamino-[(5-ethylthiophen-2-yl)methylamino]methylidene]amino]acetamide;hydroiodide?
The canonical SMILES for N-cyclopropyl-2-[[ethylamino-[(5-ethylthiophen-2-yl)methylamino]methylidene]amino]acetamide;hydroiodide is CCN/C(=N\CC(=O)NC1CC1)NCc1ccc(CC)s1.I.
What is the InChIKey of N-cyclopropyl-2-[[ethylamino-[(5-ethylthiophen-2-yl)methylamino]methylidene]amino]acetamide;hydroiodide?
The InChIKey is WLZFHMNYQXKHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4OS.HI/c1-3-12-7-8-13(21-12)9-17-15(16-4-2)18-10-14(20)19-11-5-6-11;/h7-8,11H,3-6,9-10H2,1-2H3,(H,19,20)(H2,16,17,18);1H.
What are the key properties of N-cyclopropyl-2-[[ethylamino-[(5-ethylthiophen-2-yl)methylamino]methylidene]amino]acetamide;hydroiodide?
N-cyclopropyl-2-[[ethylamino-[(5-ethylthiophen-2-yl)methylamino]methylidene]amino]acetamide;hydroiodide has a molecular weight of 436.36 g/mol, XLogP of 2.26, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[[ethylamino-[(5-ethylthiophen-2-yl)methylamino]methylidene]amino]acetamide;hydroiodide is sourced from PubChem (CID 111957482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).