2-[5-(hydroxymethyl)-1-prop-2-ynylimidazol-2-yl]sulfanyl-N,N-bis(prop-2-enyl)acetamide

C15H19N3O2S — CID 42795294

IUPAC2-[5-(hydroxymethyl)-1-prop-2-ynylimidazol-2-yl]sulfanyl-N,N-bis(prop-2-enyl)acetamide
SMILESC#CCn1c(CO)cnc1SCC(=O)N(CC=C)CC=C
InChIInChI=1S/C15H19N3O2S/c1-4-7-17(8-5-2)14(20)12-21-15-16-10-13(11-19)18(15)9-6-3/h3-5,10,19H,1-2,7-9,11-12H2
InChIKeyMUESYIXIONGGJE-UHFFFAOYSA-N
MW305.40 g/mol
LogP1.30
Rot. Bonds9

About 2-[5-(hydroxymethyl)-1-prop-2-ynylimidazol-2-yl]sulfanyl-N,N-bis(prop-2-enyl)acetamide

2-[5-(hydroxymethyl)-1-prop-2-ynylimidazol-2-yl]sulfanyl-N,N-bis(prop-2-enyl)acetamide (PubChem CID 42795294) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 2-[5-(hydroxymethyl)-1-prop-2-ynylimidazol-2-yl]sulfanyl-N,N-bis(prop-2-enyl)acetamide.

Molecular Properties

Compound Name2-[5-(hydroxymethyl)-1-prop-2-ynylimidazol-2-yl]sulfanyl-N,N-bis(prop-2-enyl)acetamide
PubChem CID42795294
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name2-[5-(hydroxymethyl)-1-prop-2-ynylimidazol-2-yl]sulfanyl-N,N-bis(prop-2-enyl)acetamide
SMILESC#CCn1c(CO)cnc1SCC(=O)N(CC=C)CC=C
InChIInChI=1S/C15H19N3O2S/c1-4-7-17(8-5-2)14(20)12-21-15-16-10-13(11-19)18(15)9-6-3/h3-5,10,19H,1-2,7-9,11-12H2
InChIKeyMUESYIXIONGGJE-UHFFFAOYSA-N
XLogP1.30
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(hydroxymethyl)-1-prop-2-ynylimidazol-2-yl]sulfanyl-N,N-bis(prop-2-enyl)acetamide?
The IUPAC name of 2-[5-(hydroxymethyl)-1-prop-2-ynylimidazol-2-yl]sulfanyl-N,N-bis(prop-2-enyl)acetamide (CID 42795294) is 2-[5-(hydroxymethyl)-1-prop-2-ynylimidazol-2-yl]sulfanyl-N,N-bis(prop-2-enyl)acetamide.
What is the SMILES notation for 2-[5-(hydroxymethyl)-1-prop-2-ynylimidazol-2-yl]sulfanyl-N,N-bis(prop-2-enyl)acetamide?
The canonical SMILES for 2-[5-(hydroxymethyl)-1-prop-2-ynylimidazol-2-yl]sulfanyl-N,N-bis(prop-2-enyl)acetamide is C#CCn1c(CO)cnc1SCC(=O)N(CC=C)CC=C.
What is the InChIKey of 2-[5-(hydroxymethyl)-1-prop-2-ynylimidazol-2-yl]sulfanyl-N,N-bis(prop-2-enyl)acetamide?
The InChIKey is MUESYIXIONGGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-4-7-17(8-5-2)14(20)12-21-15-16-10-13(11-19)18(15)9-6-3/h3-5,10,19H,1-2,7-9,11-12H2.
What are the key properties of 2-[5-(hydroxymethyl)-1-prop-2-ynylimidazol-2-yl]sulfanyl-N,N-bis(prop-2-enyl)acetamide?
2-[5-(hydroxymethyl)-1-prop-2-ynylimidazol-2-yl]sulfanyl-N,N-bis(prop-2-enyl)acetamide has a molecular weight of 305.40 g/mol, XLogP of 1.30, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(hydroxymethyl)-1-prop-2-ynylimidazol-2-yl]sulfanyl-N,N-bis(prop-2-enyl)acetamide is sourced from PubChem (CID 42795294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).