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

C22H18N4O2S — CID 18588468

IUPAC4-methyl-N-[3-(1-methyl-6-oxopyridazin-3-yl)phenyl]-2-phenyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccc2)sc1C(=O)Nc1cccc(-c2ccc(=O)n(C)n2)c1
InChIInChI=1S/C22H18N4O2S/c1-14-20(29-22(23-14)15-7-4-3-5-8-15)21(28)24-17-10-6-9-16(13-17)18-11-12-19(27)26(2)25-18/h3-13H,1-2H3,(H,24,28)
InChIKeyJCVDHXYNISKYCE-UHFFFAOYSA-N
MW402.48 g/mol
LogP4.13
Rot. Bonds4

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

4-methyl-N-[3-(1-methyl-6-oxopyridazin-3-yl)phenyl]-2-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 18588468) has the molecular formula C22H18N4O2S and a molecular weight of 402.48 g/mol. Its IUPAC name is 4-methyl-N-[3-(1-methyl-6-oxopyridazin-3-yl)phenyl]-2-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[3-(1-methyl-6-oxopyridazin-3-yl)phenyl]-2-phenyl-1,3-thiazole-5-carboxamide
PubChem CID18588468
Molecular FormulaC22H18N4O2S
Molecular Weight402.48 g/mol
Exact Mass402.12
IUPAC Name4-methyl-N-[3-(1-methyl-6-oxopyridazin-3-yl)phenyl]-2-phenyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccc2)sc1C(=O)Nc1cccc(-c2ccc(=O)n(C)n2)c1
InChIInChI=1S/C22H18N4O2S/c1-14-20(29-22(23-14)15-7-4-3-5-8-15)21(28)24-17-10-6-9-16(13-17)18-11-12-19(27)26(2)25-18/h3-13H,1-2H3,(H,24,28)
InChIKeyJCVDHXYNISKYCE-UHFFFAOYSA-N
XLogP4.13
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.48
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-methyl-5-(phenylcarbamoyl)-1,3-thiazol-2-yl]benzoic acid
CID 51115527
4-methyl-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 55723008
N-(5-methoxy-1-methylpyrazol-3-yl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 86797967
2-[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 56919999
2,4-dimethyl-N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]-1,3-thiazole-5-carboxamide
CID 71805033
4-methyl-N-phenyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 8871070
4-methyl-2-phenyl-N-[(1R)-1-phenylethyl]-1,3-thiazole-5-carboxamide
CID 9123977
2-(3-chlorophenyl)-4-methyl-N-[3-(2-methylpropanoylamino)phenyl]-1,3-thiazole-5-carboxamide
CID 55609828
N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 90393664
2-(4-fluorophenyl)-N-(3-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 78823798
4-methyl-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 90515615
4-methyl-2-phenyl-N-[(1S)-1-pyridin-4-ylethyl]-1,3-thiazole-5-carboxamide
CID 39966458

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-(1-methyl-6-oxopyridazin-3-yl)phenyl]-2-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[3-(1-methyl-6-oxopyridazin-3-yl)phenyl]-2-phenyl-1,3-thiazole-5-carboxamide (CID 18588468) is 4-methyl-N-[3-(1-methyl-6-oxopyridazin-3-yl)phenyl]-2-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[3-(1-methyl-6-oxopyridazin-3-yl)phenyl]-2-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[3-(1-methyl-6-oxopyridazin-3-yl)phenyl]-2-phenyl-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccccc2)sc1C(=O)Nc1cccc(-c2ccc(=O)n(C)n2)c1.
What is the InChIKey of 4-methyl-N-[3-(1-methyl-6-oxopyridazin-3-yl)phenyl]-2-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is JCVDHXYNISKYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O2S/c1-14-20(29-22(23-14)15-7-4-3-5-8-15)21(28)24-17-10-6-9-16(13-17)18-11-12-19(27)26(2)25-18/h3-13H,1-2H3,(H,24,28).
What are the key properties of 4-methyl-N-[3-(1-methyl-6-oxopyridazin-3-yl)phenyl]-2-phenyl-1,3-thiazole-5-carboxamide?
4-methyl-N-[3-(1-methyl-6-oxopyridazin-3-yl)phenyl]-2-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 402.48 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-(1-methyl-6-oxopyridazin-3-yl)phenyl]-2-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 18588468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).