2-methoxyethyl N'-propyl-N-(thiophene-2-carbonyl)carbamimidate

C12H18N2O3S — CID 7361978

IUPAC2-methoxyethyl N'-propyl-N-(thiophene-2-carbonyl)carbamimidate
SMILESCCC/N=C(/NC(=O)c1cccs1)OCCOC
InChIInChI=1S/C12H18N2O3S/c1-3-6-13-12(17-8-7-16-2)14-11(15)10-5-4-9-18-10/h4-5,9H,3,6-8H2,1-2H3,(H,13,14,15)
InChIKeyWPLWTAJHUBWCTG-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.91
Rot. Bonds6

About 2-methoxyethyl N'-propyl-N-(thiophene-2-carbonyl)carbamimidate

2-methoxyethyl N'-propyl-N-(thiophene-2-carbonyl)carbamimidate (PubChem CID 7361978) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 2-methoxyethyl N'-propyl-N-(thiophene-2-carbonyl)carbamimidate.

Molecular Properties

Compound Name2-methoxyethyl N'-propyl-N-(thiophene-2-carbonyl)carbamimidate
PubChem CID7361978
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name2-methoxyethyl N'-propyl-N-(thiophene-2-carbonyl)carbamimidate
SMILESCCC/N=C(/NC(=O)c1cccs1)OCCOC
InChIInChI=1S/C12H18N2O3S/c1-3-6-13-12(17-8-7-16-2)14-11(15)10-5-4-9-18-10/h4-5,9H,3,6-8H2,1-2H3,(H,13,14,15)
InChIKeyWPLWTAJHUBWCTG-UHFFFAOYSA-N
XLogP1.91
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl N'-[2-(dimethylamino)ethyl]-N-(thiophene-2-carbonyl)carbamimidate
CID 7328271
propan-2-yl N'-benzyl-N-(thiophene-2-carbonyl)carbamimidate
CID 7288444
N-[(2S)-1-methoxypropan-2-yl]thiophene-2-carboxamide
CID 670280
2-(2-methoxyethoxy)ethyl thiophene-2-carboxylate
CID 174814348
diethyl 2-(thiophene-2-carbonylamino)propanedioate
CID 43409057
[(4S)-4-[[ethoxy-(thiophene-2-carbonylamino)methylidene]amino]pentyl]-diethylazanium
CID 7396572
methyl N'-(pyridin-3-ylmethyl)-N-(thiophene-2-carbonyl)carbamimidate
CID 7306826
N-[(Z)-pentan-2-ylideneamino]thiophene-2-carboxamide
CID 6088045
ethyl 2-methyl-3-(thiophene-2-carbonylhydrazinylidene)butanoate
CID 3467381
methyl 2-(thiophene-2-carbonylamino)propanoate
CID 531387
2-amino-4-methoxy-1-thiophen-2-ylbutan-1-one
CID 116567437
methyl 2-amino-3-(thiophene-2-carbonylamino)propanoate
CID 22661369

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl N'-propyl-N-(thiophene-2-carbonyl)carbamimidate?
The IUPAC name of 2-methoxyethyl N'-propyl-N-(thiophene-2-carbonyl)carbamimidate (CID 7361978) is 2-methoxyethyl N'-propyl-N-(thiophene-2-carbonyl)carbamimidate.
What is the SMILES notation for 2-methoxyethyl N'-propyl-N-(thiophene-2-carbonyl)carbamimidate?
The canonical SMILES for 2-methoxyethyl N'-propyl-N-(thiophene-2-carbonyl)carbamimidate is CCC/N=C(/NC(=O)c1cccs1)OCCOC.
What is the InChIKey of 2-methoxyethyl N'-propyl-N-(thiophene-2-carbonyl)carbamimidate?
The InChIKey is WPLWTAJHUBWCTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-3-6-13-12(17-8-7-16-2)14-11(15)10-5-4-9-18-10/h4-5,9H,3,6-8H2,1-2H3,(H,13,14,15).
What are the key properties of 2-methoxyethyl N'-propyl-N-(thiophene-2-carbonyl)carbamimidate?
2-methoxyethyl N'-propyl-N-(thiophene-2-carbonyl)carbamimidate has a molecular weight of 270.35 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl N'-propyl-N-(thiophene-2-carbonyl)carbamimidate is sourced from PubChem (CID 7361978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).