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

C14H24N4OS — CID 111957001

IUPACN-ethyl-2-[[ethylamino-[(5-ethylthiophen-2-yl)methylamino]methylidene]amino]acetamide
SMILESCCNC(=O)C/N=C(\NCC)NCc1ccc(CC)s1
InChIInChI=1S/C14H24N4OS/c1-4-11-7-8-12(20-11)9-17-14(16-6-3)18-10-13(19)15-5-2/h7-8H,4-6,9-10H2,1-3H3,(H,15,19)(H2,16,17,18)
InChIKeyPVIALAMMOUIAJT-UHFFFAOYSA-N
MW296.44 g/mol
LogP1.50
Rot. Bonds7

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

N-ethyl-2-[[ethylamino-[(5-ethylthiophen-2-yl)methylamino]methylidene]amino]acetamide (PubChem CID 111957001) has the molecular formula C14H24N4OS and a molecular weight of 296.44 g/mol. Its IUPAC name is N-ethyl-2-[[ethylamino-[(5-ethylthiophen-2-yl)methylamino]methylidene]amino]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[[ethylamino-[(5-ethylthiophen-2-yl)methylamino]methylidene]amino]acetamide
PubChem CID111957001
Molecular FormulaC14H24N4OS
Molecular Weight296.44 g/mol
Exact Mass296.17
IUPAC NameN-ethyl-2-[[ethylamino-[(5-ethylthiophen-2-yl)methylamino]methylidene]amino]acetamide
SMILESCCNC(=O)C/N=C(\NCC)NCc1ccc(CC)s1
InChIInChI=1S/C14H24N4OS/c1-4-11-7-8-12(20-11)9-17-14(16-6-3)18-10-13(19)15-5-2/h7-8H,4-6,9-10H2,1-3H3,(H,15,19)(H2,16,17,18)
InChIKeyPVIALAMMOUIAJT-UHFFFAOYSA-N
XLogP1.50
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 51.50
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'}

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Related Compounds

2-[[ethylamino-[(5-ethylthiophen-2-yl)methylamino]methylidene]amino]-N-propylacetamide
CID 111957381
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-[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
N-[2-[[N-ethyl-N'-[(5-ethylthiophen-2-yl)methyl]carbamimidoyl]amino]ethyl]acetamide
CID 111956547
N-ethyl-2-[[ethylamino-[(3-methylthiophen-2-yl)methylamino]methylidene]amino]acetamide;hydroiodide
CID 111892758
1-ethyl-3-[(5-ethylthiophen-2-yl)methyl]-2-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]guanidine;hydroiodide
CID 111957528
N-[2-(dimethylamino)ethyl]-3-[[[ethylamino-[(5-ethylthiophen-2-yl)methylamino]methylidene]amino]methyl]benzamide;hydroiodide
CID 111956696

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[[ethylamino-[(5-ethylthiophen-2-yl)methylamino]methylidene]amino]acetamide?
The IUPAC name of N-ethyl-2-[[ethylamino-[(5-ethylthiophen-2-yl)methylamino]methylidene]amino]acetamide (CID 111957001) is N-ethyl-2-[[ethylamino-[(5-ethylthiophen-2-yl)methylamino]methylidene]amino]acetamide.
What is the SMILES notation for N-ethyl-2-[[ethylamino-[(5-ethylthiophen-2-yl)methylamino]methylidene]amino]acetamide?
The canonical SMILES for N-ethyl-2-[[ethylamino-[(5-ethylthiophen-2-yl)methylamino]methylidene]amino]acetamide is CCNC(=O)C/N=C(\NCC)NCc1ccc(CC)s1.
What is the InChIKey of N-ethyl-2-[[ethylamino-[(5-ethylthiophen-2-yl)methylamino]methylidene]amino]acetamide?
The InChIKey is PVIALAMMOUIAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4OS/c1-4-11-7-8-12(20-11)9-17-14(16-6-3)18-10-13(19)15-5-2/h7-8H,4-6,9-10H2,1-3H3,(H,15,19)(H2,16,17,18).
What are the key properties of N-ethyl-2-[[ethylamino-[(5-ethylthiophen-2-yl)methylamino]methylidene]amino]acetamide?
N-ethyl-2-[[ethylamino-[(5-ethylthiophen-2-yl)methylamino]methylidene]amino]acetamide has a molecular weight of 296.44 g/mol, XLogP of 1.50, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[[ethylamino-[(5-ethylthiophen-2-yl)methylamino]methylidene]amino]acetamide is sourced from PubChem (CID 111957001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).