ethyl N'-[2-(dimethylamino)ethyl]-N-(thiophene-2-carbonyl)carbamimidate

C12H19N3O2S — CID 7328271

IUPACethyl N'-[2-(dimethylamino)ethyl]-N-(thiophene-2-carbonyl)carbamimidate
SMILESCCO/C(=N\CCN(C)C)NC(=O)c1cccs1
InChIInChI=1S/C12H19N3O2S/c1-4-17-12(13-7-8-15(2)3)14-11(16)10-6-5-9-18-10/h5-6,9H,4,7-8H2,1-3H3,(H,13,14,16)
InChIKeyXDDDTKRKJLYVGS-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.43
Rot. Bonds5

About ethyl N'-[2-(dimethylamino)ethyl]-N-(thiophene-2-carbonyl)carbamimidate

ethyl N'-[2-(dimethylamino)ethyl]-N-(thiophene-2-carbonyl)carbamimidate (PubChem CID 7328271) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is ethyl N'-[2-(dimethylamino)ethyl]-N-(thiophene-2-carbonyl)carbamimidate.

Molecular Properties

Compound Nameethyl N'-[2-(dimethylamino)ethyl]-N-(thiophene-2-carbonyl)carbamimidate
PubChem CID7328271
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Nameethyl N'-[2-(dimethylamino)ethyl]-N-(thiophene-2-carbonyl)carbamimidate
SMILESCCO/C(=N\CCN(C)C)NC(=O)c1cccs1
InChIInChI=1S/C12H19N3O2S/c1-4-17-12(13-7-8-15(2)3)14-11(16)10-6-5-9-18-10/h5-6,9H,4,7-8H2,1-3H3,(H,13,14,16)
InChIKeyXDDDTKRKJLYVGS-UHFFFAOYSA-N
XLogP1.43
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-methoxyethyl N'-propyl-N-(thiophene-2-carbonyl)carbamimidate
CID 7361978
[(4S)-4-[[ethoxy-(thiophene-2-carbonylamino)methylidene]amino]pentyl]-diethylazanium
CID 7396572
2-(dimethylamino)ethyl thiophene-2-carboxylate;hydrochloride
CID 52998113
diethyl 2-(thiophene-2-carbonylamino)propanedioate
CID 43409057
ethyl 2-methyl-3-(thiophene-2-carbonylhydrazinylidene)butanoate
CID 3467381
propan-2-yl N'-benzyl-N-(thiophene-2-carbonyl)carbamimidate
CID 7288444
ethyl (2S)-4-methyl-2-(thiophene-2-carbonylamino)pentanoate
CID 125041848
N-[4-[2-(dimethylamino)ethylamino]phenyl]thiophene-2-carboxamide
CID 112981287
propan-2-yl N-(2-chlorobenzoyl)-N'-[2-(dimethylamino)ethyl]carbamimidate
CID 5165368
N-[2,2,2-trichloro-1-[2-(dimethylamino)ethylamino]ethyl]thiophene-2-carboxamide
CID 3788652
ethyl 2-[2-(dimethylamino)ethylamino]-2-thiophen-2-ylacetate
CID 61347720
ethyl 3-oxo-2-(thiophene-2-carbonyl)-3-thiophen-2-ylpropanoate
CID 139814505

Frequently Asked Questions

What is the IUPAC name of ethyl N'-[2-(dimethylamino)ethyl]-N-(thiophene-2-carbonyl)carbamimidate?
The IUPAC name of ethyl N'-[2-(dimethylamino)ethyl]-N-(thiophene-2-carbonyl)carbamimidate (CID 7328271) is ethyl N'-[2-(dimethylamino)ethyl]-N-(thiophene-2-carbonyl)carbamimidate.
What is the SMILES notation for ethyl N'-[2-(dimethylamino)ethyl]-N-(thiophene-2-carbonyl)carbamimidate?
The canonical SMILES for ethyl N'-[2-(dimethylamino)ethyl]-N-(thiophene-2-carbonyl)carbamimidate is CCO/C(=N\CCN(C)C)NC(=O)c1cccs1.
What is the InChIKey of ethyl N'-[2-(dimethylamino)ethyl]-N-(thiophene-2-carbonyl)carbamimidate?
The InChIKey is XDDDTKRKJLYVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-4-17-12(13-7-8-15(2)3)14-11(16)10-6-5-9-18-10/h5-6,9H,4,7-8H2,1-3H3,(H,13,14,16).
What are the key properties of ethyl N'-[2-(dimethylamino)ethyl]-N-(thiophene-2-carbonyl)carbamimidate?
ethyl N'-[2-(dimethylamino)ethyl]-N-(thiophene-2-carbonyl)carbamimidate has a molecular weight of 269.37 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N'-[2-(dimethylamino)ethyl]-N-(thiophene-2-carbonyl)carbamimidate is sourced from PubChem (CID 7328271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).