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

C17H16N4O2S — CID 42226635

IUPAC4-methyl-N-[2-(6-oxopyridazin-1-yl)ethyl]-2-phenyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccc2)sc1C(=O)NCCn1ncccc1=O
InChIInChI=1S/C17H16N4O2S/c1-12-15(24-17(20-12)13-6-3-2-4-7-13)16(23)18-10-11-21-14(22)8-5-9-19-21/h2-9H,10-11H2,1H3,(H,18,23)
InChIKeyWVCPGRSTYYEHCG-UHFFFAOYSA-N
MW340.41 g/mol
LogP2.11
Rot. Bonds5

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

4-methyl-N-[2-(6-oxopyridazin-1-yl)ethyl]-2-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 42226635) has the molecular formula C17H16N4O2S and a molecular weight of 340.41 g/mol. Its IUPAC name is 4-methyl-N-[2-(6-oxopyridazin-1-yl)ethyl]-2-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[2-(6-oxopyridazin-1-yl)ethyl]-2-phenyl-1,3-thiazole-5-carboxamide
PubChem CID42226635
Molecular FormulaC17H16N4O2S
Molecular Weight340.41 g/mol
Exact Mass340.10
IUPAC Name4-methyl-N-[2-(6-oxopyridazin-1-yl)ethyl]-2-phenyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccc2)sc1C(=O)NCCn1ncccc1=O
InChIInChI=1S/C17H16N4O2S/c1-12-15(24-17(20-12)13-6-3-2-4-7-13)16(23)18-10-11-21-14(22)8-5-9-19-21/h2-9H,10-11H2,1H3,(H,18,23)
InChIKeyWVCPGRSTYYEHCG-UHFFFAOYSA-N
XLogP2.11
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 90515615
N-(4-acetamidobutyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 110356793
N-[2-(2-hydroxyphenyl)ethyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 110427150
4-methyl-N-[3-(N-methylanilino)propyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 27746890
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-4-methyl-2-(2-methylphenyl)-1,3-thiazole-5-carboxamide
CID 122278139
N-[2-(4-methoxyphenoxy)ethyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 26710485
4-methyl-2-(4-phenoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carboxamide
CID 59338114
2-[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 56919999
3-[(4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 82032619
4-methyl-2-phenyl-N-[(1R)-1-phenylethyl]-1,3-thiazole-5-carboxamide
CID 9123977
4-methyl-N-[2-[3-(2-methylimidazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 71790891
4-methyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 41413211

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(6-oxopyridazin-1-yl)ethyl]-2-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[2-(6-oxopyridazin-1-yl)ethyl]-2-phenyl-1,3-thiazole-5-carboxamide (CID 42226635) is 4-methyl-N-[2-(6-oxopyridazin-1-yl)ethyl]-2-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[2-(6-oxopyridazin-1-yl)ethyl]-2-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[2-(6-oxopyridazin-1-yl)ethyl]-2-phenyl-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccccc2)sc1C(=O)NCCn1ncccc1=O.
What is the InChIKey of 4-methyl-N-[2-(6-oxopyridazin-1-yl)ethyl]-2-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is WVCPGRSTYYEHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2S/c1-12-15(24-17(20-12)13-6-3-2-4-7-13)16(23)18-10-11-21-14(22)8-5-9-19-21/h2-9H,10-11H2,1H3,(H,18,23).
What are the key properties of 4-methyl-N-[2-(6-oxopyridazin-1-yl)ethyl]-2-phenyl-1,3-thiazole-5-carboxamide?
4-methyl-N-[2-(6-oxopyridazin-1-yl)ethyl]-2-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 340.41 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(6-oxopyridazin-1-yl)ethyl]-2-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 42226635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).