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

C11H19N3OS — CID 64863552

IUPACN-propan-2-yl-2-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)acetamide
SMILESCC(C)NC(=O)Cn1c(C(C)C)c[nH]c1=S
InChIInChI=1S/C11H19N3OS/c1-7(2)9-5-12-11(16)14(9)6-10(15)13-8(3)4/h5,7-8H,6H2,1-4H3,(H,12,16)(H,13,15)
InChIKeyMQZINYFMGSSQNZ-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.19
Rot. Bonds4

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

N-propan-2-yl-2-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)acetamide (PubChem CID 64863552) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is N-propan-2-yl-2-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)acetamide.

Molecular Properties

Compound NameN-propan-2-yl-2-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)acetamide
PubChem CID64863552
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC NameN-propan-2-yl-2-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)acetamide
SMILESCC(C)NC(=O)Cn1c(C(C)C)c[nH]c1=S
InChIInChI=1S/C11H19N3OS/c1-7(2)9-5-12-11(16)14(9)6-10(15)13-8(3)4/h5,7-8H,6H2,1-4H3,(H,12,16)(H,13,15)
InChIKeyMQZINYFMGSSQNZ-UHFFFAOYSA-N
XLogP2.19
TPSA49.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.19
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-propan-2-yl-2-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)acetamide?
The IUPAC name of N-propan-2-yl-2-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)acetamide (CID 64863552) is N-propan-2-yl-2-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)acetamide.
What is the SMILES notation for N-propan-2-yl-2-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)acetamide?
The canonical SMILES for N-propan-2-yl-2-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)acetamide is CC(C)NC(=O)Cn1c(C(C)C)c[nH]c1=S.
What is the InChIKey of N-propan-2-yl-2-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)acetamide?
The InChIKey is MQZINYFMGSSQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-7(2)9-5-12-11(16)14(9)6-10(15)13-8(3)4/h5,7-8H,6H2,1-4H3,(H,12,16)(H,13,15).
What are the key properties of N-propan-2-yl-2-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)acetamide?
N-propan-2-yl-2-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)acetamide has a molecular weight of 241.36 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)acetamide is sourced from PubChem (CID 64863552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).