N-propyl-2-(2-sulfanylidene-1H-imidazol-3-yl)propanamide

C9H15N3OS — CID 61480437

IUPACN-propyl-2-(2-sulfanylidene-1H-imidazol-3-yl)propanamide
SMILESCCCNC(=O)C(C)n1cc[nH]c1=S
InChIInChI=1S/C9H15N3OS/c1-3-4-10-8(13)7(2)12-6-5-11-9(12)14/h5-7H,3-4H2,1-2H3,(H,10,13)(H,11,14)
InChIKeySKEVFAWZFFYPPW-UHFFFAOYSA-N
MW213.31 g/mol
LogP1.63
Rot. Bonds4

About N-propyl-2-(2-sulfanylidene-1H-imidazol-3-yl)propanamide

N-propyl-2-(2-sulfanylidene-1H-imidazol-3-yl)propanamide (PubChem CID 61480437) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is N-propyl-2-(2-sulfanylidene-1H-imidazol-3-yl)propanamide.

Molecular Properties

Compound NameN-propyl-2-(2-sulfanylidene-1H-imidazol-3-yl)propanamide
PubChem CID61480437
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC NameN-propyl-2-(2-sulfanylidene-1H-imidazol-3-yl)propanamide
SMILESCCCNC(=O)C(C)n1cc[nH]c1=S
InChIInChI=1S/C9H15N3OS/c1-3-4-10-8(13)7(2)12-6-5-11-9(12)14/h5-7H,3-4H2,1-2H3,(H,10,13)(H,11,14)
InChIKeySKEVFAWZFFYPPW-UHFFFAOYSA-N
XLogP1.63
TPSA49.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-propyl-2-(2-sulfanylidene-1H-imidazol-3-yl)propanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-propyl-2-(2-sulfanylidene-1H-imidazol-3-yl)propanamide?
The IUPAC name of N-propyl-2-(2-sulfanylidene-1H-imidazol-3-yl)propanamide (CID 61480437) is N-propyl-2-(2-sulfanylidene-1H-imidazol-3-yl)propanamide.
What is the SMILES notation for N-propyl-2-(2-sulfanylidene-1H-imidazol-3-yl)propanamide?
The canonical SMILES for N-propyl-2-(2-sulfanylidene-1H-imidazol-3-yl)propanamide is CCCNC(=O)C(C)n1cc[nH]c1=S.
What is the InChIKey of N-propyl-2-(2-sulfanylidene-1H-imidazol-3-yl)propanamide?
The InChIKey is SKEVFAWZFFYPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-3-4-10-8(13)7(2)12-6-5-11-9(12)14/h5-7H,3-4H2,1-2H3,(H,10,13)(H,11,14).
What are the key properties of N-propyl-2-(2-sulfanylidene-1H-imidazol-3-yl)propanamide?
N-propyl-2-(2-sulfanylidene-1H-imidazol-3-yl)propanamide has a molecular weight of 213.31 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2-(2-sulfanylidene-1H-imidazol-3-yl)propanamide is sourced from PubChem (CID 61480437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).