N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide

C21H18N4O3S — CID 16905547

IUPACN-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccc2)sc1C(=O)NCCn1nc(-c2ccco2)ccc1=O
InChIInChI=1S/C21H18N4O3S/c1-14-19(29-21(23-14)15-6-3-2-4-7-15)20(27)22-11-12-25-18(26)10-9-16(24-25)17-8-5-13-28-17/h2-10,13H,11-12H2,1H3,(H,22,27)
InChIKeyMMMSRODSTLMAKC-UHFFFAOYSA-N
MW406.47 g/mol
LogP3.37
Rot. Bonds6

About N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide

N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 16905547) has the molecular formula C21H18N4O3S and a molecular weight of 406.47 g/mol. Its IUPAC name is N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
PubChem CID16905547
Molecular FormulaC21H18N4O3S
Molecular Weight406.47 g/mol
Exact Mass406.11
IUPAC NameN-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccc2)sc1C(=O)NCCn1nc(-c2ccco2)ccc1=O
InChIInChI=1S/C21H18N4O3S/c1-14-19(29-21(23-14)15-6-3-2-4-7-15)20(27)22-11-12-25-18(26)10-9-16(24-25)17-8-5-13-28-17/h2-10,13H,11-12H2,1H3,(H,22,27)
InChIKeyMMMSRODSTLMAKC-UHFFFAOYSA-N
XLogP3.37
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.47
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide (CID 16905547) is N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccccc2)sc1C(=O)NCCn1nc(-c2ccco2)ccc1=O.
What is the InChIKey of N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is MMMSRODSTLMAKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3S/c1-14-19(29-21(23-14)15-6-3-2-4-7-15)20(27)22-11-12-25-18(26)10-9-16(24-25)17-8-5-13-28-17/h2-10,13H,11-12H2,1H3,(H,22,27).
What are the key properties of N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide?
N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 406.47 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 16905547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).