[1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(1,2-thiazol-3-yl)methanone

C20H15ClN2O2S — CID 67244660

IUPAC[1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(1,2-thiazol-3-yl)methanone
SMILESCOc1ccc2c(c1)c(C(=O)c1ccsn1)cn2Cc1ccc(Cl)cc1
InChIInChI=1S/C20H15ClN2O2S/c1-25-15-6-7-19-16(10-15)17(20(24)18-8-9-26-22-18)12-23(19)11-13-2-4-14(21)5-3-13/h2-10,12H,11H2,1H3
InChIKeyYMHJHQQPJCNYJQ-UHFFFAOYSA-N
MW382.87 g/mol
LogP5.04
Rot. Bonds5

About [1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(1,2-thiazol-3-yl)methanone

[1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(1,2-thiazol-3-yl)methanone (PubChem CID 67244660) has the molecular formula C20H15ClN2O2S and a molecular weight of 382.87 g/mol. Its IUPAC name is [1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(1,2-thiazol-3-yl)methanone.

Molecular Properties

Compound Name[1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(1,2-thiazol-3-yl)methanone
PubChem CID67244660
Molecular FormulaC20H15ClN2O2S
Molecular Weight382.87 g/mol
Exact Mass382.05
IUPAC Name[1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(1,2-thiazol-3-yl)methanone
SMILESCOc1ccc2c(c1)c(C(=O)c1ccsn1)cn2Cc1ccc(Cl)cc1
InChIInChI=1S/C20H15ClN2O2S/c1-25-15-6-7-19-16(10-15)17(20(24)18-8-9-26-22-18)12-23(19)11-13-2-4-14(21)5-3-13/h2-10,12H,11H2,1H3
InChIKeyYMHJHQQPJCNYJQ-UHFFFAOYSA-N
XLogP5.04
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.87
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(1-pyridazin-4-yltriazol-4-yl)methanone
CID 67242796
[1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(1-pyridin-2-ylpyrazol-3-yl)methanone
CID 67244328
[1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(5-phenylfuran-2-yl)methanone
CID 91115948
2-[1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-2-oxo-N-pyridin-4-ylacetamide
CID 25144411
[1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(3-phenyl-1,2,4-oxadiazol-5-yl)methanone
CID 67243198
[1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(1-pyridazin-4-ylpyrazol-4-yl)methanone
CID 67244215
6-methoxy-3-(4-methoxybenzoyl)-1-[(4-methoxyphenyl)methyl]quinolin-4-one
CID 20864686
[1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(1-pyridazin-3-ylpyrazol-4-yl)methanone
CID 67244342
1-[(3,4-dichlorophenyl)methyl]-5-methoxy-N-methylindole-3-carboxamide
CID 145438430
1-[1-[(4-fluorophenyl)methyl]-5-methoxyindol-3-yl]ethanone
CID 11580237
1,3-benzoxazol-2-yl-[1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]methanone;1,3-benzoxazol-2-yl-[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]methanone
CID 69022169
N-(2,6-dichlorophenyl)-2-[1-[(4-fluorophenyl)methyl]-5-methoxyindol-3-yl]-2-oxoacetamide
CID 110167918

Frequently Asked Questions

What is the IUPAC name of [1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(1,2-thiazol-3-yl)methanone?
The IUPAC name of [1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(1,2-thiazol-3-yl)methanone (CID 67244660) is [1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(1,2-thiazol-3-yl)methanone.
What is the SMILES notation for [1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(1,2-thiazol-3-yl)methanone?
The canonical SMILES for [1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(1,2-thiazol-3-yl)methanone is COc1ccc2c(c1)c(C(=O)c1ccsn1)cn2Cc1ccc(Cl)cc1.
What is the InChIKey of [1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(1,2-thiazol-3-yl)methanone?
The InChIKey is YMHJHQQPJCNYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN2O2S/c1-25-15-6-7-19-16(10-15)17(20(24)18-8-9-26-22-18)12-23(19)11-13-2-4-14(21)5-3-13/h2-10,12H,11H2,1H3.
What are the key properties of [1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(1,2-thiazol-3-yl)methanone?
[1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(1,2-thiazol-3-yl)methanone has a molecular weight of 382.87 g/mol, XLogP of 5.04, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(1,2-thiazol-3-yl)methanone is sourced from PubChem (CID 67244660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).