N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-6-oxo-1H-pyridazine-3-carboxamide

C16H14N4O2S — CID 35875919

IUPACN-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCc1ccc(-c2csc(NC(=O)c3ccc(=O)[nH]n3)n2)c(C)c1
InChIInChI=1S/C16H14N4O2S/c1-9-3-4-11(10(2)7-9)13-8-23-16(17-13)18-15(22)12-5-6-14(21)20-19-12/h3-8H,1-2H3,(H,20,21)(H,17,18,22)
InChIKeyCTHSZHUBNWGUDA-UHFFFAOYSA-N
MW326.38 g/mol
LogP2.76
Rot. Bonds3

About N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-6-oxo-1H-pyridazine-3-carboxamide

N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 35875919) has the molecular formula C16H14N4O2S and a molecular weight of 326.38 g/mol. Its IUPAC name is N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID35875919
Molecular FormulaC16H14N4O2S
Molecular Weight326.38 g/mol
Exact Mass326.08
IUPAC NameN-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCc1ccc(-c2csc(NC(=O)c3ccc(=O)[nH]n3)n2)c(C)c1
InChIInChI=1S/C16H14N4O2S/c1-9-3-4-11(10(2)7-9)13-8-23-16(17-13)18-15(22)12-5-6-14(21)20-19-12/h3-8H,1-2H3,(H,20,21)(H,17,18,22)
InChIKeyCTHSZHUBNWGUDA-UHFFFAOYSA-N
XLogP2.76
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 25259755
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-1,5-dimethylpyrazole-3-carboxamide
CID 16952106
2,6-dichloro-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 4517277
N-(4-tert-butyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridazine-3-carboxamide
CID 86975559
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-methylpropanamide
CID 3627689
2-chloro-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 903690
1-amino-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
CID 119685811
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-4-nitro-1H-pyrazole-5-carboxamide
CID 19579486
trans-(1S,2S)-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide
CID 40820828
trans-(1R,2R)-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide
CID 40820829
6-oxo-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]-1H-pyridine-3-carboxamide
CID 8005265
3-chloro-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide
CID 1358970

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-6-oxo-1H-pyridazine-3-carboxamide (CID 35875919) is N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-6-oxo-1H-pyridazine-3-carboxamide is Cc1ccc(-c2csc(NC(=O)c3ccc(=O)[nH]n3)n2)c(C)c1.
What is the InChIKey of N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is CTHSZHUBNWGUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2S/c1-9-3-4-11(10(2)7-9)13-8-23-16(17-13)18-15(22)12-5-6-14(21)20-19-12/h3-8H,1-2H3,(H,20,21)(H,17,18,22).
What are the key properties of N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-6-oxo-1H-pyridazine-3-carboxamide?
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 326.38 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 35875919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).