N-(2-amino-2-sulfanylideneethyl)-N'-ethyl-N'-(pyridin-4-ylmethyl)oxamide

C12H16N4O2S — CID 61449625

IUPACN-(2-amino-2-sulfanylideneethyl)-N'-ethyl-N'-(pyridin-4-ylmethyl)oxamide
SMILESCCN(Cc1ccncc1)C(=O)C(=O)NCC(N)=S
InChIInChI=1S/C12H16N4O2S/c1-2-16(8-9-3-5-14-6-4-9)12(18)11(17)15-7-10(13)19/h3-6H,2,7-8H2,1H3,(H2,13,19)(H,15,17)
InChIKeyQBFUXVKTDHTSKW-UHFFFAOYSA-N
MW280.35 g/mol
LogP-0.17
Rot. Bonds5

About N-(2-amino-2-sulfanylideneethyl)-N'-ethyl-N'-(pyridin-4-ylmethyl)oxamide

N-(2-amino-2-sulfanylideneethyl)-N'-ethyl-N'-(pyridin-4-ylmethyl)oxamide (PubChem CID 61449625) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is N-(2-amino-2-sulfanylideneethyl)-N'-ethyl-N'-(pyridin-4-ylmethyl)oxamide.

Molecular Properties

Compound NameN-(2-amino-2-sulfanylideneethyl)-N'-ethyl-N'-(pyridin-4-ylmethyl)oxamide
PubChem CID61449625
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC NameN-(2-amino-2-sulfanylideneethyl)-N'-ethyl-N'-(pyridin-4-ylmethyl)oxamide
SMILESCCN(Cc1ccncc1)C(=O)C(=O)NCC(N)=S
InChIInChI=1S/C12H16N4O2S/c1-2-16(8-9-3-5-14-6-4-9)12(18)11(17)15-7-10(13)19/h3-6H,2,7-8H2,1H3,(H2,13,19)(H,15,17)
InChIKeyQBFUXVKTDHTSKW-UHFFFAOYSA-N
XLogP-0.17
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze N-(2-amino-2-sulfanylideneethyl)-N'-ethyl-N'-(pyridin-4-ylmethyl)oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-amino-2-sulfanylideneethyl)-N'-ethyl-N'-propyloxamide
CID 43316467
2-[[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]acetic acid
CID 61449449
N-(2-amino-2-sulfanylideneethyl)-N'-ethyl-N'-(2-ethylbutyl)oxamide
CID 61437859
[ethyl(pyridin-4-ylmethyl)carbamothioyl]sulfanyl N-ethyl-N-(pyridin-4-ylmethyl)carbamodithioate
CID 168679323
(2S)-2-amino-N-ethyl-3,3-dimethyl-N-(pyridin-4-ylmethyl)butanamide
CID 61162675
2-[[2-[[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]acetyl]amino]acetic acid
CID 61449719
N-ethyl-2-phenyl-N-(pyridin-4-ylmethyl)prop-2-enamide
CID 44630282
N'-ethyl-N-pentyl-N'-(2-pyridin-4-ylethyl)oxamide
CID 108521696
2-anilino-N-ethyl-N-(pyridin-4-ylmethyl)acetamide
CID 60962477
2-bromo-N-ethyl-N-(pyridin-4-ylmethyl)propanamide
CID 107904597
N-ethyl-4-hydrazinyl-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 62247237
2-amino-N-ethyl-N-(pyridin-4-ylmethyl)pentanamide
CID 54873793

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-sulfanylideneethyl)-N'-ethyl-N'-(pyridin-4-ylmethyl)oxamide?
The IUPAC name of N-(2-amino-2-sulfanylideneethyl)-N'-ethyl-N'-(pyridin-4-ylmethyl)oxamide (CID 61449625) is N-(2-amino-2-sulfanylideneethyl)-N'-ethyl-N'-(pyridin-4-ylmethyl)oxamide.
What is the SMILES notation for N-(2-amino-2-sulfanylideneethyl)-N'-ethyl-N'-(pyridin-4-ylmethyl)oxamide?
The canonical SMILES for N-(2-amino-2-sulfanylideneethyl)-N'-ethyl-N'-(pyridin-4-ylmethyl)oxamide is CCN(Cc1ccncc1)C(=O)C(=O)NCC(N)=S.
What is the InChIKey of N-(2-amino-2-sulfanylideneethyl)-N'-ethyl-N'-(pyridin-4-ylmethyl)oxamide?
The InChIKey is QBFUXVKTDHTSKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-2-16(8-9-3-5-14-6-4-9)12(18)11(17)15-7-10(13)19/h3-6H,2,7-8H2,1H3,(H2,13,19)(H,15,17).
What are the key properties of N-(2-amino-2-sulfanylideneethyl)-N'-ethyl-N'-(pyridin-4-ylmethyl)oxamide?
N-(2-amino-2-sulfanylideneethyl)-N'-ethyl-N'-(pyridin-4-ylmethyl)oxamide has a molecular weight of 280.35 g/mol, XLogP of -0.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-sulfanylideneethyl)-N'-ethyl-N'-(pyridin-4-ylmethyl)oxamide is sourced from PubChem (CID 61449625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).