1-ethyl-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,3-dioxo-4H-quinoxaline-6-carboxamide

C17H15N5O3S — CID 134027715

IUPAC1-ethyl-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,3-dioxo-4H-quinoxaline-6-carboxamide
SMILESCCn1c(=O)c(=O)[nH]c2cc(C(=O)NCc3cn4ccsc4n3)ccc21
InChIInChI=1S/C17H15N5O3S/c1-2-22-13-4-3-10(7-12(13)20-15(24)16(22)25)14(23)18-8-11-9-21-5-6-26-17(21)19-11/h3-7,9H,2,8H2,1H3,(H,18,23)(H,20,24)
InChIKeyRAUJMJBSDMAALY-UHFFFAOYSA-N
MW369.41 g/mol
LogP1.35
Rot. Bonds4

About 1-ethyl-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,3-dioxo-4H-quinoxaline-6-carboxamide

1-ethyl-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,3-dioxo-4H-quinoxaline-6-carboxamide (PubChem CID 134027715) has the molecular formula C17H15N5O3S and a molecular weight of 369.41 g/mol. Its IUPAC name is 1-ethyl-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,3-dioxo-4H-quinoxaline-6-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,3-dioxo-4H-quinoxaline-6-carboxamide
PubChem CID134027715
Molecular FormulaC17H15N5O3S
Molecular Weight369.41 g/mol
Exact Mass369.09
IUPAC Name1-ethyl-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,3-dioxo-4H-quinoxaline-6-carboxamide
SMILESCCn1c(=O)c(=O)[nH]c2cc(C(=O)NCc3cn4ccsc4n3)ccc21
InChIInChI=1S/C17H15N5O3S/c1-2-22-13-4-3-10(7-12(13)20-15(24)16(22)25)14(23)18-8-11-9-21-5-6-26-17(21)19-11/h3-7,9H,2,8H2,1H3,(H,18,23)(H,20,24)
InChIKeyRAUJMJBSDMAALY-UHFFFAOYSA-N
XLogP1.35
TPSA101.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.41
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,3-dioxo-4H-quinoxaline-6-carboxamide?
The IUPAC name of 1-ethyl-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,3-dioxo-4H-quinoxaline-6-carboxamide (CID 134027715) is 1-ethyl-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,3-dioxo-4H-quinoxaline-6-carboxamide.
What is the SMILES notation for 1-ethyl-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,3-dioxo-4H-quinoxaline-6-carboxamide?
The canonical SMILES for 1-ethyl-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,3-dioxo-4H-quinoxaline-6-carboxamide is CCn1c(=O)c(=O)[nH]c2cc(C(=O)NCc3cn4ccsc4n3)ccc21.
What is the InChIKey of 1-ethyl-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,3-dioxo-4H-quinoxaline-6-carboxamide?
The InChIKey is RAUJMJBSDMAALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O3S/c1-2-22-13-4-3-10(7-12(13)20-15(24)16(22)25)14(23)18-8-11-9-21-5-6-26-17(21)19-11/h3-7,9H,2,8H2,1H3,(H,18,23)(H,20,24).
What are the key properties of 1-ethyl-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,3-dioxo-4H-quinoxaline-6-carboxamide?
1-ethyl-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,3-dioxo-4H-quinoxaline-6-carboxamide has a molecular weight of 369.41 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,3-dioxo-4H-quinoxaline-6-carboxamide is sourced from PubChem (CID 134027715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).