1-[(5-methylfuran-2-yl)methyl]-N-(2-thiophen-2-ylethyl)aziridine-2-carboxamide

C15H18N2O2S — CID 3496264

IUPAC1-[(5-methylfuran-2-yl)methyl]-N-(2-thiophen-2-ylethyl)aziridine-2-carboxamide
SMILESCc1ccc(CN2CC2C(=O)NCCc2cccs2)o1
InChIInChI=1S/C15H18N2O2S/c1-11-4-5-12(19-11)9-17-10-14(17)15(18)16-7-6-13-3-2-8-20-13/h2-5,8,14H,6-7,9-10H2,1H3,(H,16,18)
InChIKeyFEFGBUUGEYYTIX-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.19
Rot. Bonds6

About 1-[(5-methylfuran-2-yl)methyl]-N-(2-thiophen-2-ylethyl)aziridine-2-carboxamide

1-[(5-methylfuran-2-yl)methyl]-N-(2-thiophen-2-ylethyl)aziridine-2-carboxamide (PubChem CID 3496264) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 1-[(5-methylfuran-2-yl)methyl]-N-(2-thiophen-2-ylethyl)aziridine-2-carboxamide.

Molecular Properties

Compound Name1-[(5-methylfuran-2-yl)methyl]-N-(2-thiophen-2-ylethyl)aziridine-2-carboxamide
PubChem CID3496264
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name1-[(5-methylfuran-2-yl)methyl]-N-(2-thiophen-2-ylethyl)aziridine-2-carboxamide
SMILESCc1ccc(CN2CC2C(=O)NCCc2cccs2)o1
InChIInChI=1S/C15H18N2O2S/c1-11-4-5-12(19-11)9-17-10-14(17)15(18)16-7-6-13-3-2-8-20-13/h2-5,8,14H,6-7,9-10H2,1H3,(H,16,18)
InChIKeyFEFGBUUGEYYTIX-UHFFFAOYSA-N
XLogP2.19
TPSA45.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(3R,7aR)-7a-methyl-5-oxo-N-(2-thiophen-2-ylethyl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 33119838
1-methyl-N-(2-thiophen-2-ylethyl)piperazine-2-carboxamide
CID 115177853
N-(1-benzylpiperidin-4-yl)-1-[(5-methylfuran-2-yl)methyl]aziridine-2-carboxamide
CID 3445666
4-benzyl-5-oxo-N-(2-thiophen-2-ylethyl)morpholine-3-carboxamide
CID 56766014
2-(cyclopropylmethylamino)-N-(2-thiophen-2-ylethyl)acetamide;hydrochloride
CID 119687934
2-(3,5-dimethylpiperidin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 75858751
4-methyl-N-(2-thiophen-2-ylethyl)piperazine-2-carboxamide
CID 115178054
4-(2-thiophen-2-ylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63784485
(2S,4R)-4-fluoro-1-[(5-methylfuran-2-yl)methyl]pyrrolidine-2-carboxamide
CID 131955290
(3S)-2-ethylsulfonyl-N-(2-thiophen-2-ylethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 33119829
(2S,4S)-N-ethyl-1-[(5-methylfuran-2-yl)methyl]-4-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]pyrrolidine-2-carboxamide
CID 72861062
N-[2-(2-thiophen-2-ylethylamino)ethyl]cyclopropanecarboxamide
CID 115599497

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methylfuran-2-yl)methyl]-N-(2-thiophen-2-ylethyl)aziridine-2-carboxamide?
The IUPAC name of 1-[(5-methylfuran-2-yl)methyl]-N-(2-thiophen-2-ylethyl)aziridine-2-carboxamide (CID 3496264) is 1-[(5-methylfuran-2-yl)methyl]-N-(2-thiophen-2-ylethyl)aziridine-2-carboxamide.
What is the SMILES notation for 1-[(5-methylfuran-2-yl)methyl]-N-(2-thiophen-2-ylethyl)aziridine-2-carboxamide?
The canonical SMILES for 1-[(5-methylfuran-2-yl)methyl]-N-(2-thiophen-2-ylethyl)aziridine-2-carboxamide is Cc1ccc(CN2CC2C(=O)NCCc2cccs2)o1.
What is the InChIKey of 1-[(5-methylfuran-2-yl)methyl]-N-(2-thiophen-2-ylethyl)aziridine-2-carboxamide?
The InChIKey is FEFGBUUGEYYTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-11-4-5-12(19-11)9-17-10-14(17)15(18)16-7-6-13-3-2-8-20-13/h2-5,8,14H,6-7,9-10H2,1H3,(H,16,18).
What are the key properties of 1-[(5-methylfuran-2-yl)methyl]-N-(2-thiophen-2-ylethyl)aziridine-2-carboxamide?
1-[(5-methylfuran-2-yl)methyl]-N-(2-thiophen-2-ylethyl)aziridine-2-carboxamide has a molecular weight of 290.39 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methylfuran-2-yl)methyl]-N-(2-thiophen-2-ylethyl)aziridine-2-carboxamide is sourced from PubChem (CID 3496264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).