[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 1H-indazole-3-carboxylate

C19H14BrN3O3S — CID 16525618

IUPAC[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 1H-indazole-3-carboxylate
SMILESCOc1ccc(Br)cc1-c1nc(COC(=O)c2n[nH]c3ccccc23)cs1
InChIInChI=1S/C19H14BrN3O3S/c1-25-16-7-6-11(20)8-14(16)18-21-12(10-27-18)9-26-19(24)17-13-4-2-3-5-15(13)22-23-17/h2-8,10H,9H2,1H3,(H,22,23)
InChIKeyRBOFAACCBKQPQD-UHFFFAOYSA-N
MW444.31 g/mol
LogP4.81
Rot. Bonds5

About [2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 1H-indazole-3-carboxylate

[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 1H-indazole-3-carboxylate (PubChem CID 16525618) has the molecular formula C19H14BrN3O3S and a molecular weight of 444.31 g/mol. Its IUPAC name is [2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 1H-indazole-3-carboxylate.

Molecular Properties

Compound Name[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 1H-indazole-3-carboxylate
PubChem CID16525618
Molecular FormulaC19H14BrN3O3S
Molecular Weight444.31 g/mol
Exact Mass442.99
IUPAC Name[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 1H-indazole-3-carboxylate
SMILESCOc1ccc(Br)cc1-c1nc(COC(=O)c2n[nH]c3ccccc23)cs1
InChIInChI=1S/C19H14BrN3O3S/c1-25-16-7-6-11(20)8-14(16)18-21-12(10-27-18)9-26-19(24)17-13-4-2-3-5-15(13)22-23-17/h2-8,10H,9H2,1H3,(H,22,23)
InChIKeyRBOFAACCBKQPQD-UHFFFAOYSA-N
XLogP4.81
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.31
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 3-methyl-4-oxophthalazine-1-carboxylate
CID 16509878
[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2,3,4-trimethoxybenzoate
CID 16523986
[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 6-methylpyridine-3-carboxylate
CID 31604302
[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 3-methylfuran-2-carboxylate
CID 33107417
[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 4-bromobenzoate
CID 16539995
[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(4-oxoquinazolin-3-yl)acetate
CID 31412723
[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 3-quinolin-2-ylpropanoate
CID 29486456
[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(2,4-dimethoxyphenyl)acetate
CID 43027401
dimethyl 5-[[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methoxy]benzene-1,3-dicarboxylate
CID 16571362
(4-bromo-2-fluorophenyl)methyl 1H-indazole-3-carboxylate
CID 4804236
[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 3,4,5-trimethoxybenzoate
CID 16522456
(5-acetyl-2-methoxyphenyl)methyl 1H-indazole-3-carboxylate
CID 2636122

Frequently Asked Questions

What is the IUPAC name of [2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 1H-indazole-3-carboxylate?
The IUPAC name of [2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 1H-indazole-3-carboxylate (CID 16525618) is [2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 1H-indazole-3-carboxylate.
What is the SMILES notation for [2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 1H-indazole-3-carboxylate?
The canonical SMILES for [2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 1H-indazole-3-carboxylate is COc1ccc(Br)cc1-c1nc(COC(=O)c2n[nH]c3ccccc23)cs1.
What is the InChIKey of [2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 1H-indazole-3-carboxylate?
The InChIKey is RBOFAACCBKQPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrN3O3S/c1-25-16-7-6-11(20)8-14(16)18-21-12(10-27-18)9-26-19(24)17-13-4-2-3-5-15(13)22-23-17/h2-8,10H,9H2,1H3,(H,22,23).
What are the key properties of [2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 1H-indazole-3-carboxylate?
[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 1H-indazole-3-carboxylate has a molecular weight of 444.31 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 1H-indazole-3-carboxylate is sourced from PubChem (CID 16525618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).