N-cyclopropyl-3-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)propanamide

C12H19N3OS — CID 79401776

IUPACN-cyclopropyl-3-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)propanamide
SMILESCC(C)c1c[nH]c(=S)n1CCC(=O)NC1CC1
InChIInChI=1S/C12H19N3OS/c1-8(2)10-7-13-12(17)15(10)6-5-11(16)14-9-3-4-9/h7-9H,3-6H2,1-2H3,(H,13,17)(H,14,16)
InChIKeyGALXASFDVYVWTF-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.34
Rot. Bonds5

About N-cyclopropyl-3-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)propanamide

N-cyclopropyl-3-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)propanamide (PubChem CID 79401776) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is N-cyclopropyl-3-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)propanamide
PubChem CID79401776
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC NameN-cyclopropyl-3-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)propanamide
SMILESCC(C)c1c[nH]c(=S)n1CCC(=O)NC1CC1
InChIInChI=1S/C12H19N3OS/c1-8(2)10-7-13-12(17)15(10)6-5-11(16)14-9-3-4-9/h7-9H,3-6H2,1-2H3,(H,13,17)(H,14,16)
InChIKeyGALXASFDVYVWTF-UHFFFAOYSA-N
XLogP2.34
TPSA49.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-cyclopropyl-3-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)propanamide?
The IUPAC name of N-cyclopropyl-3-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)propanamide (CID 79401776) is N-cyclopropyl-3-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)propanamide.
What is the SMILES notation for N-cyclopropyl-3-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)propanamide?
The canonical SMILES for N-cyclopropyl-3-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)propanamide is CC(C)c1c[nH]c(=S)n1CCC(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-3-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)propanamide?
The InChIKey is GALXASFDVYVWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-8(2)10-7-13-12(17)15(10)6-5-11(16)14-9-3-4-9/h7-9H,3-6H2,1-2H3,(H,13,17)(H,14,16).
What are the key properties of N-cyclopropyl-3-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)propanamide?
N-cyclopropyl-3-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)propanamide has a molecular weight of 253.37 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)propanamide is sourced from PubChem (CID 79401776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).