N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-4-methylthiadiazole-5-carboxamide

C17H17N5O3S — CID 121033663

IUPACN-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-4-methylthiadiazole-5-carboxamide
SMILESCOc1ccc(-c2ccc(=O)n(CCNC(=O)c3snnc3C)n2)cc1
InChIInChI=1S/C17H17N5O3S/c1-11-16(26-21-19-11)17(24)18-9-10-22-15(23)8-7-14(20-22)12-3-5-13(25-2)6-4-12/h3-8H,9-10H2,1-2H3,(H,18,24)
InChIKeyJFAZROKLVJEMBS-UHFFFAOYSA-N
MW371.42 g/mol
LogP1.51
Rot. Bonds6

About N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-4-methylthiadiazole-5-carboxamide

N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-4-methylthiadiazole-5-carboxamide (PubChem CID 121033663) has the molecular formula C17H17N5O3S and a molecular weight of 371.42 g/mol. Its IUPAC name is N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-4-methylthiadiazole-5-carboxamide
PubChem CID121033663
Molecular FormulaC17H17N5O3S
Molecular Weight371.42 g/mol
Exact Mass371.11
IUPAC NameN-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-4-methylthiadiazole-5-carboxamide
SMILESCOc1ccc(-c2ccc(=O)n(CCNC(=O)c3snnc3C)n2)cc1
InChIInChI=1S/C17H17N5O3S/c1-11-16(26-21-19-11)17(24)18-9-10-22-15(23)8-7-14(20-22)12-3-5-13(25-2)6-4-12/h3-8H,9-10H2,1-2H3,(H,18,24)
InChIKeyJFAZROKLVJEMBS-UHFFFAOYSA-N
XLogP1.51
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-4-methoxybenzamide
CID 41241118
3-(4-methoxyphenyl)-N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]propanamide
CID 41240937
N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-4-(trifluoromethyl)benzamide
CID 18569648
N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-(4-methylbenzoyl)benzamide
CID 121033526
2-(4-fluorophenyl)-N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]acetamide
CID 18569662
2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide
CID 121050358
2-ethylsulfanyl-N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]benzamide
CID 121033580
2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]acetamide
CID 121051121
N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-6-piperidin-1-ylpyridazine-3-carboxamide
CID 121028008
N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-phenyltriazole-4-carboxamide
CID 121033610
N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-(4-nitrophenyl)acetamide
CID 121033533
N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-oxochromene-3-carboxamide
CID 16820327

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-4-methylthiadiazole-5-carboxamide (CID 121033663) is N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-4-methylthiadiazole-5-carboxamide is COc1ccc(-c2ccc(=O)n(CCNC(=O)c3snnc3C)n2)cc1.
What is the InChIKey of N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-4-methylthiadiazole-5-carboxamide?
The InChIKey is JFAZROKLVJEMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3S/c1-11-16(26-21-19-11)17(24)18-9-10-22-15(23)8-7-14(20-22)12-3-5-13(25-2)6-4-12/h3-8H,9-10H2,1-2H3,(H,18,24).
What are the key properties of N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-4-methylthiadiazole-5-carboxamide?
N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-4-methylthiadiazole-5-carboxamide has a molecular weight of 371.42 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 121033663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).