2-(4,5-dihydroimidazol-1-ylmethylsulfanyl)-N,N-dimethylacetamide

C8H15N3OS — CID 57166021

IUPAC2-(4,5-dihydroimidazol-1-ylmethylsulfanyl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)CSCN1C=NCC1
InChIInChI=1S/C8H15N3OS/c1-10(2)8(12)5-13-7-11-4-3-9-6-11/h6H,3-5,7H2,1-2H3
InChIKeyNQYCLIZZXIGBTQ-UHFFFAOYSA-N
MW201.29 g/mol
LogP0.11
Rot. Bonds4

About 2-(4,5-dihydroimidazol-1-ylmethylsulfanyl)-N,N-dimethylacetamide

2-(4,5-dihydroimidazol-1-ylmethylsulfanyl)-N,N-dimethylacetamide (PubChem CID 57166021) has the molecular formula C8H15N3OS and a molecular weight of 201.29 g/mol. Its IUPAC name is 2-(4,5-dihydroimidazol-1-ylmethylsulfanyl)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(4,5-dihydroimidazol-1-ylmethylsulfanyl)-N,N-dimethylacetamide
PubChem CID57166021
Molecular FormulaC8H15N3OS
Molecular Weight201.29 g/mol
Exact Mass201.09
IUPAC Name2-(4,5-dihydroimidazol-1-ylmethylsulfanyl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)CSCN1C=NCC1
InChIInChI=1S/C8H15N3OS/c1-10(2)8(12)5-13-7-11-4-3-9-6-11/h6H,3-5,7H2,1-2H3
InChIKeyNQYCLIZZXIGBTQ-UHFFFAOYSA-N
XLogP0.11
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 50.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydroimidazol-1-ylmethylsulfanyl)-N,N-dimethylacetamide?
The IUPAC name of 2-(4,5-dihydroimidazol-1-ylmethylsulfanyl)-N,N-dimethylacetamide (CID 57166021) is 2-(4,5-dihydroimidazol-1-ylmethylsulfanyl)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(4,5-dihydroimidazol-1-ylmethylsulfanyl)-N,N-dimethylacetamide?
The canonical SMILES for 2-(4,5-dihydroimidazol-1-ylmethylsulfanyl)-N,N-dimethylacetamide is CN(C)C(=O)CSCN1C=NCC1.
What is the InChIKey of 2-(4,5-dihydroimidazol-1-ylmethylsulfanyl)-N,N-dimethylacetamide?
The InChIKey is NQYCLIZZXIGBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3OS/c1-10(2)8(12)5-13-7-11-4-3-9-6-11/h6H,3-5,7H2,1-2H3.
What are the key properties of 2-(4,5-dihydroimidazol-1-ylmethylsulfanyl)-N,N-dimethylacetamide?
2-(4,5-dihydroimidazol-1-ylmethylsulfanyl)-N,N-dimethylacetamide has a molecular weight of 201.29 g/mol, XLogP of 0.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydroimidazol-1-ylmethylsulfanyl)-N,N-dimethylacetamide is sourced from PubChem (CID 57166021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).