1-(4-chlorothieno[2,3-c]pyridine-2-carbonyl)-3-ethylimidazolidin-4-one

C13H12ClN3O2S — CID 154866937

IUPAC1-(4-chlorothieno[2,3-c]pyridine-2-carbonyl)-3-ethylimidazolidin-4-one
SMILESCCN1CN(C(=O)c2cc3c(Cl)cncc3s2)CC1=O
InChIInChI=1S/C13H12ClN3O2S/c1-2-16-7-17(6-12(16)18)13(19)10-3-8-9(14)4-15-5-11(8)20-10/h3-5H,2,6-7H2,1H3
InChIKeyBUFRXQKWXOELTN-UHFFFAOYSA-N
MW309.78 g/mol
LogP2.21
Rot. Bonds2

About 1-(4-chlorothieno[2,3-c]pyridine-2-carbonyl)-3-ethylimidazolidin-4-one

1-(4-chlorothieno[2,3-c]pyridine-2-carbonyl)-3-ethylimidazolidin-4-one (PubChem CID 154866937) has the molecular formula C13H12ClN3O2S and a molecular weight of 309.78 g/mol. Its IUPAC name is 1-(4-chlorothieno[2,3-c]pyridine-2-carbonyl)-3-ethylimidazolidin-4-one.

Molecular Properties

Compound Name1-(4-chlorothieno[2,3-c]pyridine-2-carbonyl)-3-ethylimidazolidin-4-one
PubChem CID154866937
Molecular FormulaC13H12ClN3O2S
Molecular Weight309.78 g/mol
Exact Mass309.03
IUPAC Name1-(4-chlorothieno[2,3-c]pyridine-2-carbonyl)-3-ethylimidazolidin-4-one
SMILESCCN1CN(C(=O)c2cc3c(Cl)cncc3s2)CC1=O
InChIInChI=1S/C13H12ClN3O2S/c1-2-16-7-17(6-12(16)18)13(19)10-3-8-9(14)4-15-5-11(8)20-10/h3-5H,2,6-7H2,1H3
InChIKeyBUFRXQKWXOELTN-UHFFFAOYSA-N
XLogP2.21
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.78
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorothieno[2,3-c]pyridine-2-carbonyl)-3-ethylimidazolidin-4-one?
The IUPAC name of 1-(4-chlorothieno[2,3-c]pyridine-2-carbonyl)-3-ethylimidazolidin-4-one (CID 154866937) is 1-(4-chlorothieno[2,3-c]pyridine-2-carbonyl)-3-ethylimidazolidin-4-one.
What is the SMILES notation for 1-(4-chlorothieno[2,3-c]pyridine-2-carbonyl)-3-ethylimidazolidin-4-one?
The canonical SMILES for 1-(4-chlorothieno[2,3-c]pyridine-2-carbonyl)-3-ethylimidazolidin-4-one is CCN1CN(C(=O)c2cc3c(Cl)cncc3s2)CC1=O.
What is the InChIKey of 1-(4-chlorothieno[2,3-c]pyridine-2-carbonyl)-3-ethylimidazolidin-4-one?
The InChIKey is BUFRXQKWXOELTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O2S/c1-2-16-7-17(6-12(16)18)13(19)10-3-8-9(14)4-15-5-11(8)20-10/h3-5H,2,6-7H2,1H3.
What are the key properties of 1-(4-chlorothieno[2,3-c]pyridine-2-carbonyl)-3-ethylimidazolidin-4-one?
1-(4-chlorothieno[2,3-c]pyridine-2-carbonyl)-3-ethylimidazolidin-4-one has a molecular weight of 309.78 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorothieno[2,3-c]pyridine-2-carbonyl)-3-ethylimidazolidin-4-one is sourced from PubChem (CID 154866937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).