N-(2-amino-2-sulfanylideneethyl)-N'-(1-imidazol-1-ylpropan-2-yl)oxamide

C10H15N5O2S — CID 54959136

IUPACN-(2-amino-2-sulfanylideneethyl)-N'-(1-imidazol-1-ylpropan-2-yl)oxamide
SMILESCC(Cn1ccnc1)NC(=O)C(=O)NCC(N)=S
InChIInChI=1S/C10H15N5O2S/c1-7(5-15-3-2-12-6-15)14-10(17)9(16)13-4-8(11)18/h2-3,6-7H,4-5H2,1H3,(H2,11,18)(H,13,16)(H,14,17)
InChIKeyUTFLYSPDWIDZKR-UHFFFAOYSA-N
MW269.33 g/mol
LogP-1.21
Rot. Bonds5

About N-(2-amino-2-sulfanylideneethyl)-N'-(1-imidazol-1-ylpropan-2-yl)oxamide

N-(2-amino-2-sulfanylideneethyl)-N'-(1-imidazol-1-ylpropan-2-yl)oxamide (PubChem CID 54959136) has the molecular formula C10H15N5O2S and a molecular weight of 269.33 g/mol. Its IUPAC name is N-(2-amino-2-sulfanylideneethyl)-N'-(1-imidazol-1-ylpropan-2-yl)oxamide.

Molecular Properties

Compound NameN-(2-amino-2-sulfanylideneethyl)-N'-(1-imidazol-1-ylpropan-2-yl)oxamide
PubChem CID54959136
Molecular FormulaC10H15N5O2S
Molecular Weight269.33 g/mol
Exact Mass269.09
IUPAC NameN-(2-amino-2-sulfanylideneethyl)-N'-(1-imidazol-1-ylpropan-2-yl)oxamide
SMILESCC(Cn1ccnc1)NC(=O)C(=O)NCC(N)=S
InChIInChI=1S/C10H15N5O2S/c1-7(5-15-3-2-12-6-15)14-10(17)9(16)13-4-8(11)18/h2-3,6-7H,4-5H2,1H3,(H2,11,18)(H,13,16)(H,14,17)
InChIKeyUTFLYSPDWIDZKR-UHFFFAOYSA-N
XLogP-1.21
TPSA102.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 5-1.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

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2-amino-N-(1-imidazol-1-ylpropan-2-yl)propanamide
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2-anilino-N-(1-imidazol-1-ylpropan-2-yl)acetamide
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2-(4-carbamothioylphenyl)-N-(1-imidazol-1-ylpropan-2-yl)acetamide
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N-[2-[[(2S)-1-imidazol-1-ylpropan-2-yl]carbamoylamino]ethyl]-2-methylpropanamide
CID 94162041
1-(1-imidazol-1-ylpropan-2-yl)-3-propylthiourea
CID 115583370
1-(1-imidazol-1-ylpropan-2-yl)-3-(2-methylpropyl)thiourea
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2-(1-imidazol-1-ylpropan-2-ylamino)-N-propan-2-ylacetamide
CID 61482336
(2S)-2-amino-N-(1-imidazol-1-ylpropan-2-yl)-4-methylpentanamide
CID 61155803
2-[4-(aminomethyl)phenyl]-N-(1-imidazol-1-ylpropan-2-yl)acetamide
CID 63588905

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-sulfanylideneethyl)-N'-(1-imidazol-1-ylpropan-2-yl)oxamide?
The IUPAC name of N-(2-amino-2-sulfanylideneethyl)-N'-(1-imidazol-1-ylpropan-2-yl)oxamide (CID 54959136) is N-(2-amino-2-sulfanylideneethyl)-N'-(1-imidazol-1-ylpropan-2-yl)oxamide.
What is the SMILES notation for N-(2-amino-2-sulfanylideneethyl)-N'-(1-imidazol-1-ylpropan-2-yl)oxamide?
The canonical SMILES for N-(2-amino-2-sulfanylideneethyl)-N'-(1-imidazol-1-ylpropan-2-yl)oxamide is CC(Cn1ccnc1)NC(=O)C(=O)NCC(N)=S.
What is the InChIKey of N-(2-amino-2-sulfanylideneethyl)-N'-(1-imidazol-1-ylpropan-2-yl)oxamide?
The InChIKey is UTFLYSPDWIDZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2S/c1-7(5-15-3-2-12-6-15)14-10(17)9(16)13-4-8(11)18/h2-3,6-7H,4-5H2,1H3,(H2,11,18)(H,13,16)(H,14,17).
What are the key properties of N-(2-amino-2-sulfanylideneethyl)-N'-(1-imidazol-1-ylpropan-2-yl)oxamide?
N-(2-amino-2-sulfanylideneethyl)-N'-(1-imidazol-1-ylpropan-2-yl)oxamide has a molecular weight of 269.33 g/mol, XLogP of -1.21, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-sulfanylideneethyl)-N'-(1-imidazol-1-ylpropan-2-yl)oxamide is sourced from PubChem (CID 54959136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).