2-(4,5-dimethylimidazol-1-yl)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]acetamide

C11H17N7OS — CID 91794635

IUPAC2-(4,5-dimethylimidazol-1-yl)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]acetamide
SMILESCc1ncn(CC(=O)NCCSc2nnnn2C)c1C
InChIInChI=1S/C11H17N7OS/c1-8-9(2)18(7-13-8)6-10(19)12-4-5-20-11-14-15-16-17(11)3/h7H,4-6H2,1-3H3,(H,12,19)
InChIKeyFAAUPIIQPAFEGV-UHFFFAOYSA-N
MW295.37 g/mol
LogP-0.07
Rot. Bonds6

About 2-(4,5-dimethylimidazol-1-yl)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]acetamide

2-(4,5-dimethylimidazol-1-yl)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]acetamide (PubChem CID 91794635) has the molecular formula C11H17N7OS and a molecular weight of 295.37 g/mol. Its IUPAC name is 2-(4,5-dimethylimidazol-1-yl)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]acetamide.

Molecular Properties

Compound Name2-(4,5-dimethylimidazol-1-yl)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]acetamide
PubChem CID91794635
Molecular FormulaC11H17N7OS
Molecular Weight295.37 g/mol
Exact Mass295.12
IUPAC Name2-(4,5-dimethylimidazol-1-yl)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]acetamide
SMILESCc1ncn(CC(=O)NCCSc2nnnn2C)c1C
InChIInChI=1S/C11H17N7OS/c1-8-9(2)18(7-13-8)6-10(19)12-4-5-20-11-14-15-16-17(11)3/h7H,4-6H2,1-3H3,(H,12,19)
InChIKeyFAAUPIIQPAFEGV-UHFFFAOYSA-N
XLogP-0.07
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[4,5-Dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanylacetyl]imidazolidin-2-one
CID 16304279
3-[2-(1-Butyl-4,5-dimethylimidazol-2-yl)sulfanylethyl]imidazolidine-2,4-dione
CID 39030237
1-[2-(1-Butyl-4,5-dimethylimidazol-2-yl)sulfanylpropanoyl]imidazolidin-2-one
CID 46530228
1-[2-(1-Butyl-4,5-dimethylimidazol-2-yl)sulfanylacetyl]imidazolidin-2-one
CID 51330192
2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 55563224
3-[2-[4,5-Dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanylethyl]imidazolidine-2,4-dione
CID 60415685
N-[2-(4,5-dimethyl-1H-imidazol-1-yl)ethyl]-3-(1H-1,2,4-triazol-1-yl)propanamide
CID 90652322
N-[2-(4,5-dimethyl-1H-imidazol-1-yl)ethyl]-3-(5-methyl-1H-tetrazol-1-yl)propanamide
CID 90652452
N-[2-(4,5-dimethyl-1H-imidazol-1-yl)ethyl]-2-[(2-pyrrolidin-1-ylethyl)thio]acetamide
CID 90652595
2-(4,5-dimethyl-1H-imidazol-1-yl)-N-[2-(4,5-dimethyl-1H-imidazol-1-yl)ethyl]acetamide
CID 91795145
N-(2-{[(4-methyl-1H-imidazol-5-yl)methyl]thio}ethyl)-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide
CID 121497444
N-[2-(4,5-dimethyl-1H-imidazol-1-yl)ethyl]-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide
CID 121498302

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethylimidazol-1-yl)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]acetamide?
The IUPAC name of 2-(4,5-dimethylimidazol-1-yl)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]acetamide (CID 91794635) is 2-(4,5-dimethylimidazol-1-yl)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]acetamide.
What is the SMILES notation for 2-(4,5-dimethylimidazol-1-yl)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]acetamide?
The canonical SMILES for 2-(4,5-dimethylimidazol-1-yl)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]acetamide is Cc1ncn(CC(=O)NCCSc2nnnn2C)c1C.
What is the InChIKey of 2-(4,5-dimethylimidazol-1-yl)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]acetamide?
The InChIKey is FAAUPIIQPAFEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N7OS/c1-8-9(2)18(7-13-8)6-10(19)12-4-5-20-11-14-15-16-17(11)3/h7H,4-6H2,1-3H3,(H,12,19).
What are the key properties of 2-(4,5-dimethylimidazol-1-yl)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]acetamide?
2-(4,5-dimethylimidazol-1-yl)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]acetamide has a molecular weight of 295.37 g/mol, XLogP of -0.07, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethylimidazol-1-yl)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]acetamide is sourced from PubChem (CID 91794635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).