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

C11H17N3OS — CID 64863739

IUPACN-cyclopropyl-2-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)acetamide
SMILESCC(C)c1c[nH]c(=S)n1CC(=O)NC1CC1
InChIInChI=1S/C11H17N3OS/c1-7(2)9-5-12-11(16)14(9)6-10(15)13-8-3-4-8/h5,7-8H,3-4,6H2,1-2H3,(H,12,16)(H,13,15)
InChIKeyMBNKADQZDORMIK-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.95
Rot. Bonds4

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

N-cyclopropyl-2-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)acetamide (PubChem CID 64863739) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is N-cyclopropyl-2-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)acetamide
PubChem CID64863739
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC NameN-cyclopropyl-2-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)acetamide
SMILESCC(C)c1c[nH]c(=S)n1CC(=O)NC1CC1
InChIInChI=1S/C11H17N3OS/c1-7(2)9-5-12-11(16)14(9)6-10(15)13-8-3-4-8/h5,7-8H,3-4,6H2,1-2H3,(H,12,16)(H,13,15)
InChIKeyMBNKADQZDORMIK-UHFFFAOYSA-N
XLogP1.95
TPSA49.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-3-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)propanamide
CID 79401776
2-[[4-[2-(cyclopropylamino)-2-oxoethyl]-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 43568490
N-cyclopropyl-2-(3,5-dimethyl-2,4,6-trioxo-1,3,5-triazinan-1-yl)acetamide
CID 26435326
N-cyclopropyl-2-(3-propan-2-ylpyrazol-1-yl)acetamide
CID 71846689
N-(4-methylcyclohexyl)-2-(5-oxo-3-propan-2-yl-1,2,4-oxadiazol-4-yl)acetamide
CID 154796898
3-[2-(cyclopentylamino)-2-oxoethyl]-2-methylimidazole-4-carboxylic acid
CID 65172485
N-cyclohexyl-2-(2,4-dioxo-1H-pyrimidin-3-yl)acetamide
CID 103603459
1-[2-(cyclopropylamino)-2-oxoethyl]-6-methyl-2-oxopyridine-3-carboxylic acid
CID 62874027
1-tert-butyl-N-(4-hydroxycyclohexyl)-5-propan-2-ylpyrazole-3-carboxamide
CID 110895136
N-cyclopropyl-2-(2-methylimidazol-1-yl)acetamide
CID 60731702
3-[2-(cyclopropylamino)-2-oxoethyl]-2-oxo-1H-benzimidazole-5-carboxylic acid
CID 82783974
2-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(1-methylpiperidin-4-yl)acetamide
CID 30828683

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)acetamide?
The IUPAC name of N-cyclopropyl-2-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)acetamide (CID 64863739) is N-cyclopropyl-2-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)acetamide.
What is the SMILES notation for N-cyclopropyl-2-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)acetamide?
The canonical SMILES for N-cyclopropyl-2-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)acetamide is CC(C)c1c[nH]c(=S)n1CC(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)acetamide?
The InChIKey is MBNKADQZDORMIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-7(2)9-5-12-11(16)14(9)6-10(15)13-8-3-4-8/h5,7-8H,3-4,6H2,1-2H3,(H,12,16)(H,13,15).
What are the key properties of N-cyclopropyl-2-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)acetamide?
N-cyclopropyl-2-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)acetamide has a molecular weight of 239.34 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)acetamide is sourced from PubChem (CID 64863739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).