3-(furan-2-ylmethyl)-2,4-dioxo-N-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-ylmethyl)-1H-pyrimidine-5-carboxamide

C15H12N6O4S — CID 121025951

IUPAC3-(furan-2-ylmethyl)-2,4-dioxo-N-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-ylmethyl)-1H-pyrimidine-5-carboxamide
SMILESO=C(NCc1csc2ncnn12)c1c[nH]c(=O)n(Cc2ccco2)c1=O
InChIInChI=1S/C15H12N6O4S/c22-12(16-4-9-7-26-15-18-8-19-21(9)15)11-5-17-14(24)20(13(11)23)6-10-2-1-3-25-10/h1-3,5,7-8H,4,6H2,(H,16,22)(H,17,24)
InChIKeyMTKHRUFCJKWPTI-UHFFFAOYSA-N
MW372.37 g/mol
LogP0.21
Rot. Bonds5

About 3-(furan-2-ylmethyl)-2,4-dioxo-N-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-ylmethyl)-1H-pyrimidine-5-carboxamide

3-(furan-2-ylmethyl)-2,4-dioxo-N-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-ylmethyl)-1H-pyrimidine-5-carboxamide (PubChem CID 121025951) has the molecular formula C15H12N6O4S and a molecular weight of 372.37 g/mol. Its IUPAC name is 3-(furan-2-ylmethyl)-2,4-dioxo-N-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-ylmethyl)-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name3-(furan-2-ylmethyl)-2,4-dioxo-N-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-ylmethyl)-1H-pyrimidine-5-carboxamide
PubChem CID121025951
Molecular FormulaC15H12N6O4S
Molecular Weight372.37 g/mol
Exact Mass372.06
IUPAC Name3-(furan-2-ylmethyl)-2,4-dioxo-N-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-ylmethyl)-1H-pyrimidine-5-carboxamide
SMILESO=C(NCc1csc2ncnn12)c1c[nH]c(=O)n(Cc2ccco2)c1=O
InChIInChI=1S/C15H12N6O4S/c22-12(16-4-9-7-26-15-18-8-19-21(9)15)11-5-17-14(24)20(13(11)23)6-10-2-1-3-25-10/h1-3,5,7-8H,4,6H2,(H,16,22)(H,17,24)
InChIKeyMTKHRUFCJKWPTI-UHFFFAOYSA-N
XLogP0.21
TPSA127.29 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.37
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 3-(furan-2-ylmethyl)-2,4-dioxo-N-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-ylmethyl)-1H-pyrimidine-5-carboxamide with MolForge

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Related Compounds

N-[(4-fluorophenyl)methyl]-3-(furan-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121025715
3-(furan-2-ylmethyl)-2,4-dioxo-N-[2-(1,2,4-triazol-1-yl)ethyl]-1H-pyrimidine-5-carboxamide
CID 121025950
3-(furan-2-ylmethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 71778379
N-cyclopropyl-3-(furan-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121025792
3-(furan-2-ylmethyl)-2,4-dioxo-N-(7H-purin-6-yl)-1H-pyrimidine-5-carboxamide
CID 121025932
3-(furan-2-ylmethyl)-N-[2-(4-methoxyphenyl)ethyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121025732
3-(furan-2-ylmethyl)-2,4-dioxo-N-(2,4,6-trimethylphenyl)-1H-pyrimidine-5-carboxamide
CID 121025718
N-(3-acetamidophenyl)-3-(furan-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121025685
N-(4-ethoxyphenyl)-3-(furan-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121025706
5-(4-acetylpiperazine-1-carbonyl)-3-(furan-2-ylmethyl)-1H-pyrimidine-2,4-dione
CID 121025767
4-[3-(furan-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carbonyl]piperazine-1-carbaldehyde
CID 121025857
N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-3-(furan-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121025863

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-ylmethyl)-2,4-dioxo-N-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-ylmethyl)-1H-pyrimidine-5-carboxamide?
The IUPAC name of 3-(furan-2-ylmethyl)-2,4-dioxo-N-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-ylmethyl)-1H-pyrimidine-5-carboxamide (CID 121025951) is 3-(furan-2-ylmethyl)-2,4-dioxo-N-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-ylmethyl)-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 3-(furan-2-ylmethyl)-2,4-dioxo-N-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-ylmethyl)-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 3-(furan-2-ylmethyl)-2,4-dioxo-N-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-ylmethyl)-1H-pyrimidine-5-carboxamide is O=C(NCc1csc2ncnn12)c1c[nH]c(=O)n(Cc2ccco2)c1=O.
What is the InChIKey of 3-(furan-2-ylmethyl)-2,4-dioxo-N-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-ylmethyl)-1H-pyrimidine-5-carboxamide?
The InChIKey is MTKHRUFCJKWPTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6O4S/c22-12(16-4-9-7-26-15-18-8-19-21(9)15)11-5-17-14(24)20(13(11)23)6-10-2-1-3-25-10/h1-3,5,7-8H,4,6H2,(H,16,22)(H,17,24).
What are the key properties of 3-(furan-2-ylmethyl)-2,4-dioxo-N-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-ylmethyl)-1H-pyrimidine-5-carboxamide?
3-(furan-2-ylmethyl)-2,4-dioxo-N-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-ylmethyl)-1H-pyrimidine-5-carboxamide has a molecular weight of 372.37 g/mol, XLogP of 0.21, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-ylmethyl)-2,4-dioxo-N-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-ylmethyl)-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 121025951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).