4-[5-[(3-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide

C17H16N4O3S — CID 175688855

IUPAC4-[5-[(3-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCOc1cccc(Cc2cnc(-c3cc(=O)n(C)nc3C(N)=O)s2)c1
InChIInChI=1S/C17H16N4O3S/c1-21-14(22)8-13(15(20-21)16(18)23)17-19-9-12(25-17)7-10-4-3-5-11(6-10)24-2/h3-6,8-9H,7H2,1-2H3,(H2,18,23)
InChIKeyVWMSSUZLKSKWFG-UHFFFAOYSA-N
MW356.41 g/mol
LogP1.60
Rot. Bonds5

About 4-[5-[(3-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide

4-[5-[(3-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide (PubChem CID 175688855) has the molecular formula C17H16N4O3S and a molecular weight of 356.41 g/mol. Its IUPAC name is 4-[5-[(3-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name4-[5-[(3-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide
PubChem CID175688855
Molecular FormulaC17H16N4O3S
Molecular Weight356.41 g/mol
Exact Mass356.09
IUPAC Name4-[5-[(3-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCOc1cccc(Cc2cnc(-c3cc(=O)n(C)nc3C(N)=O)s2)c1
InChIInChI=1S/C17H16N4O3S/c1-21-14(22)8-13(15(20-21)16(18)23)17-19-9-12(25-17)7-10-4-3-5-11(6-10)24-2/h3-6,8-9H,7H2,1-2H3,(H2,18,23)
InChIKeyVWMSSUZLKSKWFG-UHFFFAOYSA-N
XLogP1.60
TPSA100.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.41
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(2-fluoroethyl)-4-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-6-oxopyridazine-3-carboxamide
CID 175689169
N-(5-benzyl-1,3-thiazol-2-yl)-3-methoxybenzamide
CID 37035111
N-[(3-methoxyphenyl)methyl]-1-methylindazole-3-carboxamide
CID 71822195
N-[(5-benzyl-1,3-thiazol-2-yl)methyl]-3-(3-methoxyphenyl)propanamide
CID 110645143
4-[(3-methoxyphenyl)methyl]-1,3-thiazole-5-carboxylic acid
CID 82480528
N-(5-benzyl-1,3-thiazol-2-yl)-2-(3-methoxyphenoxy)acetamide
CID 18836083
4-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-1-methylpiperazine-2-carboxylic acid
CID 135095144
(3-methoxyphenyl)methyl 3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate
CID 18168624
4-[(3-methoxyphenyl)methyl]-1-methylpyrazol-5-amine
CID 82024382
1-[5-[(3-methoxyphenyl)methyl]-1,2-oxazol-4-yl]ethanone
CID 115093716
4-[(3-methoxyphenyl)methyl]-2-methyl-1,3-thiazole-5-carboxylic acid
CID 82485941
methyl 5-acetyl-2-[(3-methoxyphenyl)methyl]-1,3-thiazole-4-carboxylate
CID 106696485

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(3-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of 4-[5-[(3-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide (CID 175688855) is 4-[5-[(3-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 4-[5-[(3-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 4-[5-[(3-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide is COc1cccc(Cc2cnc(-c3cc(=O)n(C)nc3C(N)=O)s2)c1.
What is the InChIKey of 4-[5-[(3-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide?
The InChIKey is VWMSSUZLKSKWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3S/c1-21-14(22)8-13(15(20-21)16(18)23)17-19-9-12(25-17)7-10-4-3-5-11(6-10)24-2/h3-6,8-9H,7H2,1-2H3,(H2,18,23).
What are the key properties of 4-[5-[(3-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide?
4-[5-[(3-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide has a molecular weight of 356.41 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(3-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 175688855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).