2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-1,3-thiazole-4-carboxamide

C20H19N7O3S — CID 56764532

IUPAC2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-1,3-thiazole-4-carboxamide
SMILESCc1cc(C)nc(Nc2nc(C(=O)NCCn3nc(-c4ccco4)ccc3=O)cs2)n1
InChIInChI=1S/C20H19N7O3S/c1-12-10-13(2)23-19(22-12)25-20-24-15(11-31-20)18(29)21-7-8-27-17(28)6-5-14(26-27)16-4-3-9-30-16/h3-6,9-11H,7-8H2,1-2H3,(H,21,29)(H,22,23,24,25)
InChIKeyUQDODHKVIUJILR-UHFFFAOYSA-N
MW437.49 g/mol
LogP2.54
Rot. Bonds7

About 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-1,3-thiazole-4-carboxamide

2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-1,3-thiazole-4-carboxamide (PubChem CID 56764532) has the molecular formula C20H19N7O3S and a molecular weight of 437.49 g/mol. Its IUPAC name is 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-1,3-thiazole-4-carboxamide
PubChem CID56764532
Molecular FormulaC20H19N7O3S
Molecular Weight437.49 g/mol
Exact Mass437.13
IUPAC Name2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-1,3-thiazole-4-carboxamide
SMILESCc1cc(C)nc(Nc2nc(C(=O)NCCn3nc(-c4ccco4)ccc3=O)cs2)n1
InChIInChI=1S/C20H19N7O3S/c1-12-10-13(2)23-19(22-12)25-20-24-15(11-31-20)18(29)21-7-8-27-17(28)6-5-14(26-27)16-4-3-9-30-16/h3-6,9-11H,7-8H2,1-2H3,(H,21,29)(H,22,23,24,25)
InChIKeyUQDODHKVIUJILR-UHFFFAOYSA-N
XLogP2.54
TPSA127.83 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.49
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-1,3-thiazole-4-carboxamide (CID 56764532) is 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-1,3-thiazole-4-carboxamide is Cc1cc(C)nc(Nc2nc(C(=O)NCCn3nc(-c4ccco4)ccc3=O)cs2)n1.
What is the InChIKey of 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is UQDODHKVIUJILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7O3S/c1-12-10-13(2)23-19(22-12)25-20-24-15(11-31-20)18(29)21-7-8-27-17(28)6-5-14(26-27)16-4-3-9-30-16/h3-6,9-11H,7-8H2,1-2H3,(H,21,29)(H,22,23,24,25).
What are the key properties of 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-1,3-thiazole-4-carboxamide?
2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 437.49 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 56764532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).