N-[4-amino-1-(furan-2-yl)-3,4-dioxobutan-2-yl]-4-pyridin-2-yl-1,2-thiazole-3-carboxamide

C17H14N4O4S — CID 153386281

IUPACN-[4-amino-1-(furan-2-yl)-3,4-dioxobutan-2-yl]-4-pyridin-2-yl-1,2-thiazole-3-carboxamide
SMILESNC(=O)C(=O)C(Cc1ccco1)NC(=O)c1nscc1-c1ccccn1
InChIInChI=1S/C17H14N4O4S/c18-16(23)15(22)13(8-10-4-3-7-25-10)20-17(24)14-11(9-26-21-14)12-5-1-2-6-19-12/h1-7,9,13H,8H2,(H2,18,23)(H,20,24)
InChIKeyHLQGXBONUGINPE-UHFFFAOYSA-N
MW370.39 g/mol
LogP1.19
Rot. Bonds7

About N-[4-amino-1-(furan-2-yl)-3,4-dioxobutan-2-yl]-4-pyridin-2-yl-1,2-thiazole-3-carboxamide

N-[4-amino-1-(furan-2-yl)-3,4-dioxobutan-2-yl]-4-pyridin-2-yl-1,2-thiazole-3-carboxamide (PubChem CID 153386281) has the molecular formula C17H14N4O4S and a molecular weight of 370.39 g/mol. Its IUPAC name is N-[4-amino-1-(furan-2-yl)-3,4-dioxobutan-2-yl]-4-pyridin-2-yl-1,2-thiazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-amino-1-(furan-2-yl)-3,4-dioxobutan-2-yl]-4-pyridin-2-yl-1,2-thiazole-3-carboxamide
PubChem CID153386281
Molecular FormulaC17H14N4O4S
Molecular Weight370.39 g/mol
Exact Mass370.07
IUPAC NameN-[4-amino-1-(furan-2-yl)-3,4-dioxobutan-2-yl]-4-pyridin-2-yl-1,2-thiazole-3-carboxamide
SMILESNC(=O)C(=O)C(Cc1ccco1)NC(=O)c1nscc1-c1ccccn1
InChIInChI=1S/C17H14N4O4S/c18-16(23)15(22)13(8-10-4-3-7-25-10)20-17(24)14-11(9-26-21-14)12-5-1-2-6-19-12/h1-7,9,13H,8H2,(H2,18,23)(H,20,24)
InChIKeyHLQGXBONUGINPE-UHFFFAOYSA-N
XLogP1.19
TPSA128.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.39
LogP ≤ 51.19
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 N-[4-amino-1-(furan-2-yl)-3,4-dioxobutan-2-yl]-4-pyridin-2-yl-1,2-thiazole-3-carboxamide?
The IUPAC name of N-[4-amino-1-(furan-2-yl)-3,4-dioxobutan-2-yl]-4-pyridin-2-yl-1,2-thiazole-3-carboxamide (CID 153386281) is N-[4-amino-1-(furan-2-yl)-3,4-dioxobutan-2-yl]-4-pyridin-2-yl-1,2-thiazole-3-carboxamide.
What is the SMILES notation for N-[4-amino-1-(furan-2-yl)-3,4-dioxobutan-2-yl]-4-pyridin-2-yl-1,2-thiazole-3-carboxamide?
The canonical SMILES for N-[4-amino-1-(furan-2-yl)-3,4-dioxobutan-2-yl]-4-pyridin-2-yl-1,2-thiazole-3-carboxamide is NC(=O)C(=O)C(Cc1ccco1)NC(=O)c1nscc1-c1ccccn1.
What is the InChIKey of N-[4-amino-1-(furan-2-yl)-3,4-dioxobutan-2-yl]-4-pyridin-2-yl-1,2-thiazole-3-carboxamide?
The InChIKey is HLQGXBONUGINPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O4S/c18-16(23)15(22)13(8-10-4-3-7-25-10)20-17(24)14-11(9-26-21-14)12-5-1-2-6-19-12/h1-7,9,13H,8H2,(H2,18,23)(H,20,24).
What are the key properties of N-[4-amino-1-(furan-2-yl)-3,4-dioxobutan-2-yl]-4-pyridin-2-yl-1,2-thiazole-3-carboxamide?
N-[4-amino-1-(furan-2-yl)-3,4-dioxobutan-2-yl]-4-pyridin-2-yl-1,2-thiazole-3-carboxamide has a molecular weight of 370.39 g/mol, XLogP of 1.19, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-1-(furan-2-yl)-3,4-dioxobutan-2-yl]-4-pyridin-2-yl-1,2-thiazole-3-carboxamide is sourced from PubChem (CID 153386281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).