methyl 2-(3-chloroindazol-1-yl)-1,3-thiazole-4-carboxylate

C12H8ClN3O2S — CID 59332124

IUPACmethyl 2-(3-chloroindazol-1-yl)-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc(-n2nc(Cl)c3ccccc32)n1
InChIInChI=1S/C12H8ClN3O2S/c1-18-11(17)8-6-19-12(14-8)16-9-5-3-2-4-7(9)10(13)15-16/h2-6H,1H3
InChIKeyXSJLTXAKOKLGTO-UHFFFAOYSA-N
MW293.74 g/mol
LogP2.92
Rot. Bonds2

About methyl 2-(3-chloroindazol-1-yl)-1,3-thiazole-4-carboxylate

methyl 2-(3-chloroindazol-1-yl)-1,3-thiazole-4-carboxylate (PubChem CID 59332124) has the molecular formula C12H8ClN3O2S and a molecular weight of 293.74 g/mol. Its IUPAC name is methyl 2-(3-chloroindazol-1-yl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(3-chloroindazol-1-yl)-1,3-thiazole-4-carboxylate
PubChem CID59332124
Molecular FormulaC12H8ClN3O2S
Molecular Weight293.74 g/mol
Exact Mass293.00
IUPAC Namemethyl 2-(3-chloroindazol-1-yl)-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc(-n2nc(Cl)c3ccccc32)n1
InChIInChI=1S/C12H8ClN3O2S/c1-18-11(17)8-6-19-12(14-8)16-9-5-3-2-4-7(9)10(13)15-16/h2-6H,1H3
InChIKeyXSJLTXAKOKLGTO-UHFFFAOYSA-N
XLogP2.92
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.74
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(2,6-dimethoxy-3-pyridinyl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid
CID 59179998
2-[3-[4-(methoxymethyl)phenyl]indazol-1-yl]-1,3-thiazole-4-carboxylic acid
CID 44611642
2-[3-(3-chloro-4-fluorophenyl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid
CID 59179933
methyl 2-naphthalen-1-yl-1,3-thiazole-4-carboxylate
CID 113306366
2-[3-(1-benzothiophen-3-yl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid
CID 59179955
methyl 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-thiazole-4-carboxylate
CID 113307120
methyl 2-phenoxy-1,3-thiazole-4-carboxylate
CID 69084587
methyl 2,4-dichloropyrrolo[2,1-f][1,2,4]triazine-7-carboxylate
CID 131521240
methyl 2-methyl-1,3-thiazole-4-carboxylate
CID 14812829
methyl 2-(3,5-dioxopiperazin-1-yl)-1,3-thiazole-4-carboxylate
CID 115424764
methyl 2-[(2,6-dichlorophenyl)methyl]-1,3-thiazole-4-carboxylate
CID 113306457
methyl 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-thiazole-4-carboxylate
CID 104961725

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-chloroindazol-1-yl)-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-(3-chloroindazol-1-yl)-1,3-thiazole-4-carboxylate (CID 59332124) is methyl 2-(3-chloroindazol-1-yl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-(3-chloroindazol-1-yl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-(3-chloroindazol-1-yl)-1,3-thiazole-4-carboxylate is COC(=O)c1csc(-n2nc(Cl)c3ccccc32)n1.
What is the InChIKey of methyl 2-(3-chloroindazol-1-yl)-1,3-thiazole-4-carboxylate?
The InChIKey is XSJLTXAKOKLGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN3O2S/c1-18-11(17)8-6-19-12(14-8)16-9-5-3-2-4-7(9)10(13)15-16/h2-6H,1H3.
What are the key properties of methyl 2-(3-chloroindazol-1-yl)-1,3-thiazole-4-carboxylate?
methyl 2-(3-chloroindazol-1-yl)-1,3-thiazole-4-carboxylate has a molecular weight of 293.74 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-chloroindazol-1-yl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 59332124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).