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

C20H18N6O2S — CID 71790863

IUPACN-[2-(3-imidazol-1-yl-6-oxopyridazin-1-yl)ethyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccc2)sc1C(=O)NCCn1nc(-n2ccnc2)ccc1=O
InChIInChI=1S/C20H18N6O2S/c1-14-18(29-20(23-14)15-5-3-2-4-6-15)19(28)22-10-12-26-17(27)8-7-16(24-26)25-11-9-21-13-25/h2-9,11,13H,10,12H2,1H3,(H,22,28)
InChIKeyMQUIQFNNXYPMNI-UHFFFAOYSA-N
MW406.47 g/mol
LogP2.29
Rot. Bonds6

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

N-[2-(3-imidazol-1-yl-6-oxopyridazin-1-yl)ethyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 71790863) has the molecular formula C20H18N6O2S and a molecular weight of 406.47 g/mol. Its IUPAC name is N-[2-(3-imidazol-1-yl-6-oxopyridazin-1-yl)ethyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(3-imidazol-1-yl-6-oxopyridazin-1-yl)ethyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
PubChem CID71790863
Molecular FormulaC20H18N6O2S
Molecular Weight406.47 g/mol
Exact Mass406.12
IUPAC NameN-[2-(3-imidazol-1-yl-6-oxopyridazin-1-yl)ethyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccc2)sc1C(=O)NCCn1nc(-n2ccnc2)ccc1=O
InChIInChI=1S/C20H18N6O2S/c1-14-18(29-20(23-14)15-5-3-2-4-6-15)19(28)22-10-12-26-17(27)8-7-16(24-26)25-11-9-21-13-25/h2-9,11,13H,10,12H2,1H3,(H,22,28)
InChIKeyMQUIQFNNXYPMNI-UHFFFAOYSA-N
XLogP2.29
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.47
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-imidazol-1-yl-6-oxopyridazin-1-yl)ethyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[2-(3-imidazol-1-yl-6-oxopyridazin-1-yl)ethyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide (CID 71790863) is N-[2-(3-imidazol-1-yl-6-oxopyridazin-1-yl)ethyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[2-(3-imidazol-1-yl-6-oxopyridazin-1-yl)ethyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[2-(3-imidazol-1-yl-6-oxopyridazin-1-yl)ethyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccccc2)sc1C(=O)NCCn1nc(-n2ccnc2)ccc1=O.
What is the InChIKey of N-[2-(3-imidazol-1-yl-6-oxopyridazin-1-yl)ethyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is MQUIQFNNXYPMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O2S/c1-14-18(29-20(23-14)15-5-3-2-4-6-15)19(28)22-10-12-26-17(27)8-7-16(24-26)25-11-9-21-13-25/h2-9,11,13H,10,12H2,1H3,(H,22,28).
What are the key properties of N-[2-(3-imidazol-1-yl-6-oxopyridazin-1-yl)ethyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide?
N-[2-(3-imidazol-1-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 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-imidazol-1-yl-6-oxopyridazin-1-yl)ethyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 71790863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).