N-(2-amino-2-sulfanylideneethyl)-N'-(3-methyl-4-pyridinyl)oxamide

C10H12N4O2S — CID 63671885

IUPACN-(2-amino-2-sulfanylideneethyl)-N'-(3-methyl-4-pyridinyl)oxamide
SMILESCc1cnccc1NC(=O)C(=O)NCC(N)=S
InChIInChI=1S/C10H12N4O2S/c1-6-4-12-3-2-7(6)14-10(16)9(15)13-5-8(11)17/h2-4H,5H2,1H3,(H2,11,17)(H,13,15)(H,12,14,16)
InChIKeyWSOMLSNMAQTGJQ-UHFFFAOYSA-N
MW252.30 g/mol
LogP-0.27
Rot. Bonds3

About N-(2-amino-2-sulfanylideneethyl)-N'-(3-methyl-4-pyridinyl)oxamide

N-(2-amino-2-sulfanylideneethyl)-N'-(3-methyl-4-pyridinyl)oxamide (PubChem CID 63671885) has the molecular formula C10H12N4O2S and a molecular weight of 252.30 g/mol. Its IUPAC name is N-(2-amino-2-sulfanylideneethyl)-N'-(3-methyl-4-pyridinyl)oxamide.

Molecular Properties

Compound NameN-(2-amino-2-sulfanylideneethyl)-N'-(3-methyl-4-pyridinyl)oxamide
PubChem CID63671885
Molecular FormulaC10H12N4O2S
Molecular Weight252.30 g/mol
Exact Mass252.07
IUPAC NameN-(2-amino-2-sulfanylideneethyl)-N'-(3-methyl-4-pyridinyl)oxamide
SMILESCc1cnccc1NC(=O)C(=O)NCC(N)=S
InChIInChI=1S/C10H12N4O2S/c1-6-4-12-3-2-7(6)14-10(16)9(15)13-5-8(11)17/h2-4H,5H2,1H3,(H2,11,17)(H,13,15)(H,12,14,16)
InChIKeyWSOMLSNMAQTGJQ-UHFFFAOYSA-N
XLogP-0.27
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-carbamothioyl-N-(3-methyl-4-pyridinyl)pentanamide
CID 63672053
N-(2-amino-2-sulfanylideneethyl)-N'-(2,4,6-trimethylphenyl)oxamide
CID 43316123
2-(ethylamino)-N-(3-methyl-4-pyridinyl)acetamide
CID 63671038
2-chloro-N-(3-methyl-4-pyridinyl)acetamide
CID 63669851
N-(2-amino-2-sulfanylideneethyl)-N'-(2-methoxyphenyl)oxamide
CID 43316144
1-carbamothioyl-N-(3-methyl-4-pyridinyl)cyclobutane-1-carboxamide
CID 80591376
1-methyl-3-(3-methyl-4-pyridinyl)urea
CID 103881209
4-hydrazinyl-N-(3-methyl-4-pyridinyl)pyridine-3-carboxamide
CID 81249230
2-anilino-N-(3-methyl-4-pyridinyl)acetamide
CID 63670867
(E)-4-amino-N-(3-methyl-4-pyridinyl)but-2-enamide
CID 130533248
1-butyl-3-(3-methyl-4-pyridinyl)urea
CID 103881201
4-carbamothioyl-N-(3-methyl-4-pyridinyl)oxane-4-carboxamide
CID 63672227

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-sulfanylideneethyl)-N'-(3-methyl-4-pyridinyl)oxamide?
The IUPAC name of N-(2-amino-2-sulfanylideneethyl)-N'-(3-methyl-4-pyridinyl)oxamide (CID 63671885) is N-(2-amino-2-sulfanylideneethyl)-N'-(3-methyl-4-pyridinyl)oxamide.
What is the SMILES notation for N-(2-amino-2-sulfanylideneethyl)-N'-(3-methyl-4-pyridinyl)oxamide?
The canonical SMILES for N-(2-amino-2-sulfanylideneethyl)-N'-(3-methyl-4-pyridinyl)oxamide is Cc1cnccc1NC(=O)C(=O)NCC(N)=S.
What is the InChIKey of N-(2-amino-2-sulfanylideneethyl)-N'-(3-methyl-4-pyridinyl)oxamide?
The InChIKey is WSOMLSNMAQTGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2S/c1-6-4-12-3-2-7(6)14-10(16)9(15)13-5-8(11)17/h2-4H,5H2,1H3,(H2,11,17)(H,13,15)(H,12,14,16).
What are the key properties of N-(2-amino-2-sulfanylideneethyl)-N'-(3-methyl-4-pyridinyl)oxamide?
N-(2-amino-2-sulfanylideneethyl)-N'-(3-methyl-4-pyridinyl)oxamide has a molecular weight of 252.30 g/mol, XLogP of -0.27, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-sulfanylideneethyl)-N'-(3-methyl-4-pyridinyl)oxamide is sourced from PubChem (CID 63671885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).