1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3-propylimidazolidine-2,4,5-trione

C14H17N3O3S — CID 17455234

IUPAC1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3-propylimidazolidine-2,4,5-trione
SMILESCCCN1C(=O)C(=O)N(CN2CCc3sccc3C2)C1=O
InChIInChI=1S/C14H17N3O3S/c1-2-5-16-12(18)13(19)17(14(16)20)9-15-6-3-11-10(8-15)4-7-21-11/h4,7H,2-3,5-6,8-9H2,1H3
InChIKeyWUGUXBJXBOGILB-UHFFFAOYSA-N
MW307.38 g/mol
LogP1.26
Rot. Bonds4

About 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3-propylimidazolidine-2,4,5-trione

1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3-propylimidazolidine-2,4,5-trione (PubChem CID 17455234) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3-propylimidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3-propylimidazolidine-2,4,5-trione
PubChem CID17455234
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Name1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3-propylimidazolidine-2,4,5-trione
SMILESCCCN1C(=O)C(=O)N(CN2CCc3sccc3C2)C1=O
InChIInChI=1S/C14H17N3O3S/c1-2-5-16-12(18)13(19)17(14(16)20)9-15-6-3-11-10(8-15)4-7-21-11/h4,7H,2-3,5-6,8-9H2,1H3
InChIKeyWUGUXBJXBOGILB-UHFFFAOYSA-N
XLogP1.26
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3-propylimidazolidine-2,4,5-trione?
The IUPAC name of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3-propylimidazolidine-2,4,5-trione (CID 17455234) is 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3-propylimidazolidine-2,4,5-trione.
What is the SMILES notation for 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3-propylimidazolidine-2,4,5-trione?
The canonical SMILES for 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3-propylimidazolidine-2,4,5-trione is CCCN1C(=O)C(=O)N(CN2CCc3sccc3C2)C1=O.
What is the InChIKey of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3-propylimidazolidine-2,4,5-trione?
The InChIKey is WUGUXBJXBOGILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-2-5-16-12(18)13(19)17(14(16)20)9-15-6-3-11-10(8-15)4-7-21-11/h4,7H,2-3,5-6,8-9H2,1H3.
What are the key properties of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3-propylimidazolidine-2,4,5-trione?
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3-propylimidazolidine-2,4,5-trione has a molecular weight of 307.38 g/mol, XLogP of 1.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3-propylimidazolidine-2,4,5-trione is sourced from PubChem (CID 17455234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).