1-[(4-methylsulfonylphenyl)methyl]-N-(4-methyl-1,3-thiazol-2-yl)indazole-3-carboxamide

C20H18N4O3S2 — CID 59606928

IUPAC1-[(4-methylsulfonylphenyl)methyl]-N-(4-methyl-1,3-thiazol-2-yl)indazole-3-carboxamide
SMILESCc1csc(NC(=O)c2nn(Cc3ccc(S(C)(=O)=O)cc3)c3ccccc23)n1
InChIInChI=1S/C20H18N4O3S2/c1-13-12-28-20(21-13)22-19(25)18-16-5-3-4-6-17(16)24(23-18)11-14-7-9-15(10-8-14)29(2,26)27/h3-10,12H,11H2,1-2H3,(H,21,22,25)
InChIKeyLNJYINPKNAYCBY-UHFFFAOYSA-N
MW426.52 g/mol
LogP3.51
Rot. Bonds5

About 1-[(4-methylsulfonylphenyl)methyl]-N-(4-methyl-1,3-thiazol-2-yl)indazole-3-carboxamide

1-[(4-methylsulfonylphenyl)methyl]-N-(4-methyl-1,3-thiazol-2-yl)indazole-3-carboxamide (PubChem CID 59606928) has the molecular formula C20H18N4O3S2 and a molecular weight of 426.52 g/mol. Its IUPAC name is 1-[(4-methylsulfonylphenyl)methyl]-N-(4-methyl-1,3-thiazol-2-yl)indazole-3-carboxamide.

Molecular Properties

Compound Name1-[(4-methylsulfonylphenyl)methyl]-N-(4-methyl-1,3-thiazol-2-yl)indazole-3-carboxamide
PubChem CID59606928
Molecular FormulaC20H18N4O3S2
Molecular Weight426.52 g/mol
Exact Mass426.08
IUPAC Name1-[(4-methylsulfonylphenyl)methyl]-N-(4-methyl-1,3-thiazol-2-yl)indazole-3-carboxamide
SMILESCc1csc(NC(=O)c2nn(Cc3ccc(S(C)(=O)=O)cc3)c3ccccc23)n1
InChIInChI=1S/C20H18N4O3S2/c1-13-12-28-20(21-13)22-19(25)18-16-5-3-4-6-17(16)24(23-18)11-14-7-9-15(10-8-14)29(2,26)27/h3-10,12H,11H2,1-2H3,(H,21,22,25)
InChIKeyLNJYINPKNAYCBY-UHFFFAOYSA-N
XLogP3.51
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-methyl-5-methylsulfonyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 26362533
1-[(4-chlorophenyl)methyl]-N-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfonyl]indazole-3-carboxamide
CID 166984898
3-benzyl-4-oxo-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]phthalazine-1-carboxamide
CID 3917433
1-[(3,4-dichlorophenyl)methyl]-5-methyl-N-(4-methyl-1,3-thiazol-2-yl)triazole-4-carboxamide
CID 152532478
3-benzyl-N-(2-methyl-5-methylsulfonylphenyl)-4-oxophthalazine-1-carboxamide
CID 27990833
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 17361609
1-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-(4-methylphenyl)indazole-3-carboxamide
CID 68639909
1-[(4-fluorophenyl)methyl]-N-(3-methylphenyl)sulfonylindazole-3-carboxamide
CID 166984921
1-[(4-chlorophenyl)methyl]-N-pyrimidin-5-ylindazole-3-carboxamide
CID 166984841
1-[(2,6-dichlorophenyl)methyl]-N-(1,3-thiazol-2-yl)indazole-3-carboxamide
CID 11603783
N-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-4-methylsulfonylbenzamide
CID 16799686
N-(4-acetyl-1,3-thiazol-2-yl)-1-methylindazole-3-carboxamide
CID 103118181

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylsulfonylphenyl)methyl]-N-(4-methyl-1,3-thiazol-2-yl)indazole-3-carboxamide?
The IUPAC name of 1-[(4-methylsulfonylphenyl)methyl]-N-(4-methyl-1,3-thiazol-2-yl)indazole-3-carboxamide (CID 59606928) is 1-[(4-methylsulfonylphenyl)methyl]-N-(4-methyl-1,3-thiazol-2-yl)indazole-3-carboxamide.
What is the SMILES notation for 1-[(4-methylsulfonylphenyl)methyl]-N-(4-methyl-1,3-thiazol-2-yl)indazole-3-carboxamide?
The canonical SMILES for 1-[(4-methylsulfonylphenyl)methyl]-N-(4-methyl-1,3-thiazol-2-yl)indazole-3-carboxamide is Cc1csc(NC(=O)c2nn(Cc3ccc(S(C)(=O)=O)cc3)c3ccccc23)n1.
What is the InChIKey of 1-[(4-methylsulfonylphenyl)methyl]-N-(4-methyl-1,3-thiazol-2-yl)indazole-3-carboxamide?
The InChIKey is LNJYINPKNAYCBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3S2/c1-13-12-28-20(21-13)22-19(25)18-16-5-3-4-6-17(16)24(23-18)11-14-7-9-15(10-8-14)29(2,26)27/h3-10,12H,11H2,1-2H3,(H,21,22,25).
What are the key properties of 1-[(4-methylsulfonylphenyl)methyl]-N-(4-methyl-1,3-thiazol-2-yl)indazole-3-carboxamide?
1-[(4-methylsulfonylphenyl)methyl]-N-(4-methyl-1,3-thiazol-2-yl)indazole-3-carboxamide has a molecular weight of 426.52 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylsulfonylphenyl)methyl]-N-(4-methyl-1,3-thiazol-2-yl)indazole-3-carboxamide is sourced from PubChem (CID 59606928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).