2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-propylacetamide

C13H17N3O2S — CID 7151104

IUPAC2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-propylacetamide
SMILESCCCNC(=O)CSc1nccn1Cc1ccco1
InChIInChI=1S/C13H17N3O2S/c1-2-5-14-12(17)10-19-13-15-6-7-16(13)9-11-4-3-8-18-11/h3-4,6-8H,2,5,9-10H2,1H3,(H,14,17)
InChIKeyBQJRTUPIGDAPNM-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.14
Rot. Bonds7

About 2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-propylacetamide

2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-propylacetamide (PubChem CID 7151104) has the molecular formula C13H17N3O2S and a molecular weight of 279.36 g/mol. Its IUPAC name is 2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-propylacetamide.

Molecular Properties

Compound Name2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-propylacetamide
PubChem CID7151104
Molecular FormulaC13H17N3O2S
Molecular Weight279.36 g/mol
Exact Mass279.10
IUPAC Name2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-propylacetamide
SMILESCCCNC(=O)CSc1nccn1Cc1ccco1
InChIInChI=1S/C13H17N3O2S/c1-2-5-14-12(17)10-19-13-15-6-7-16(13)9-11-4-3-8-18-11/h3-4,6-8H,2,5,9-10H2,1H3,(H,14,17)
InChIKeyBQJRTUPIGDAPNM-UHFFFAOYSA-N
XLogP2.14
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-propylacetamide?
The IUPAC name of 2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-propylacetamide (CID 7151104) is 2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-propylacetamide.
What is the SMILES notation for 2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-propylacetamide?
The canonical SMILES for 2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-propylacetamide is CCCNC(=O)CSc1nccn1Cc1ccco1.
What is the InChIKey of 2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-propylacetamide?
The InChIKey is BQJRTUPIGDAPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-2-5-14-12(17)10-19-13-15-6-7-16(13)9-11-4-3-8-18-11/h3-4,6-8H,2,5,9-10H2,1H3,(H,14,17).
What are the key properties of 2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-propylacetamide?
2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-propylacetamide has a molecular weight of 279.36 g/mol, XLogP of 2.14, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-propylacetamide is sourced from PubChem (CID 7151104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).