1-[(2-methyl-1,3-thiazol-4-yl)methyl]indazole-3-carboxylic acid

C13H11N3O2S — CID 55177822

IUPAC1-[(2-methyl-1,3-thiazol-4-yl)methyl]indazole-3-carboxylic acid
SMILESCc1nc(Cn2nc(C(=O)O)c3ccccc32)cs1
InChIInChI=1S/C13H11N3O2S/c1-8-14-9(7-19-8)6-16-11-5-3-2-4-10(11)12(15-16)13(17)18/h2-5,7H,6H2,1H3,(H,17,18)
InChIKeyJPHJJROOQSXAPF-UHFFFAOYSA-N
MW273.32 g/mol
LogP2.55
Rot. Bonds3

About 1-[(2-methyl-1,3-thiazol-4-yl)methyl]indazole-3-carboxylic acid

1-[(2-methyl-1,3-thiazol-4-yl)methyl]indazole-3-carboxylic acid (PubChem CID 55177822) has the molecular formula C13H11N3O2S and a molecular weight of 273.32 g/mol. Its IUPAC name is 1-[(2-methyl-1,3-thiazol-4-yl)methyl]indazole-3-carboxylic acid.

Molecular Properties

Compound Name1-[(2-methyl-1,3-thiazol-4-yl)methyl]indazole-3-carboxylic acid
PubChem CID55177822
Molecular FormulaC13H11N3O2S
Molecular Weight273.32 g/mol
Exact Mass273.06
IUPAC Name1-[(2-methyl-1,3-thiazol-4-yl)methyl]indazole-3-carboxylic acid
SMILESCc1nc(Cn2nc(C(=O)O)c3ccccc32)cs1
InChIInChI=1S/C13H11N3O2S/c1-8-14-9(7-19-8)6-16-11-5-3-2-4-10(11)12(15-16)13(17)18/h2-5,7H,6H2,1H3,(H,17,18)
InChIKeyJPHJJROOQSXAPF-UHFFFAOYSA-N
XLogP2.55
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indazole-3-carboxamide
CID 166984948
1-[(1-propan-2-ylpyrazol-3-yl)methyl]indazole-3-carboxylic acid
CID 64771668
1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]indazole-3-carboxylic acid
CID 63106292
1-(2-methylidenebutyl)indazole-3-carboxylic acid
CID 66045729
1-(2-methylprop-2-enyl)indazole-3-carboxylic acid
CID 18695551
1-[(1-methylpyrazol-4-yl)methyl]indazole-3-carboxylic acid
CID 55178017
1-(3-methylsulfonylpropyl)indazole-3-carboxylic acid
CID 55158701
2-methyl-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-2-phenylpropan-1-one
CID 51308016
4-[(3-methylindazol-1-yl)methyl]-2-propan-2-yl-1,3-thiazole
CID 141439042
5-(methoxymethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]triazole-4-carboxylic acid
CID 102643311
2-(2-methylpropyl)-4-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]phthalazin-1-one
CID 55500807
1-(1-methylindazol-3-yl)-3-(2-methyl-1,3-thiazol-4-yl)propane-1,3-dione
CID 103119513

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyl-1,3-thiazol-4-yl)methyl]indazole-3-carboxylic acid?
The IUPAC name of 1-[(2-methyl-1,3-thiazol-4-yl)methyl]indazole-3-carboxylic acid (CID 55177822) is 1-[(2-methyl-1,3-thiazol-4-yl)methyl]indazole-3-carboxylic acid.
What is the SMILES notation for 1-[(2-methyl-1,3-thiazol-4-yl)methyl]indazole-3-carboxylic acid?
The canonical SMILES for 1-[(2-methyl-1,3-thiazol-4-yl)methyl]indazole-3-carboxylic acid is Cc1nc(Cn2nc(C(=O)O)c3ccccc32)cs1.
What is the InChIKey of 1-[(2-methyl-1,3-thiazol-4-yl)methyl]indazole-3-carboxylic acid?
The InChIKey is JPHJJROOQSXAPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2S/c1-8-14-9(7-19-8)6-16-11-5-3-2-4-10(11)12(15-16)13(17)18/h2-5,7H,6H2,1H3,(H,17,18).
What are the key properties of 1-[(2-methyl-1,3-thiazol-4-yl)methyl]indazole-3-carboxylic acid?
1-[(2-methyl-1,3-thiazol-4-yl)methyl]indazole-3-carboxylic acid has a molecular weight of 273.32 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyl-1,3-thiazol-4-yl)methyl]indazole-3-carboxylic acid is sourced from PubChem (CID 55177822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).