N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(2-oxo-1,3-thiazol-3-yl)acetamide

C9H13N3O2S2 — CID 63312400

IUPACN-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(2-oxo-1,3-thiazol-3-yl)acetamide
SMILESCN(CCC(N)=S)C(=O)Cn1ccsc1=O
InChIInChI=1S/C9H13N3O2S2/c1-11(3-2-7(10)15)8(13)6-12-4-5-16-9(12)14/h4-5H,2-3,6H2,1H3,(H2,10,15)
InChIKeyFUUGNEWHXWTXOT-UHFFFAOYSA-N
MW259.36 g/mol
LogP0.04
Rot. Bonds5

About N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(2-oxo-1,3-thiazol-3-yl)acetamide

N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(2-oxo-1,3-thiazol-3-yl)acetamide (PubChem CID 63312400) has the molecular formula C9H13N3O2S2 and a molecular weight of 259.36 g/mol. Its IUPAC name is N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(2-oxo-1,3-thiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(2-oxo-1,3-thiazol-3-yl)acetamide
PubChem CID63312400
Molecular FormulaC9H13N3O2S2
Molecular Weight259.36 g/mol
Exact Mass259.04
IUPAC NameN-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(2-oxo-1,3-thiazol-3-yl)acetamide
SMILESCN(CCC(N)=S)C(=O)Cn1ccsc1=O
InChIInChI=1S/C9H13N3O2S2/c1-11(3-2-7(10)15)8(13)6-12-4-5-16-9(12)14/h4-5H,2-3,6H2,1H3,(H2,10,15)
InChIKeyFUUGNEWHXWTXOT-UHFFFAOYSA-N
XLogP0.04
TPSA68.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(2-oxo-1,3-thiazol-3-yl)acetamide?
The IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(2-oxo-1,3-thiazol-3-yl)acetamide (CID 63312400) is N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(2-oxo-1,3-thiazol-3-yl)acetamide.
What is the SMILES notation for N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(2-oxo-1,3-thiazol-3-yl)acetamide?
The canonical SMILES for N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(2-oxo-1,3-thiazol-3-yl)acetamide is CN(CCC(N)=S)C(=O)Cn1ccsc1=O.
What is the InChIKey of N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(2-oxo-1,3-thiazol-3-yl)acetamide?
The InChIKey is FUUGNEWHXWTXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2S2/c1-11(3-2-7(10)15)8(13)6-12-4-5-16-9(12)14/h4-5H,2-3,6H2,1H3,(H2,10,15).
What are the key properties of N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(2-oxo-1,3-thiazol-3-yl)acetamide?
N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(2-oxo-1,3-thiazol-3-yl)acetamide has a molecular weight of 259.36 g/mol, XLogP of 0.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(2-oxo-1,3-thiazol-3-yl)acetamide is sourced from PubChem (CID 63312400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).