1-(5-bromothiophen-3-yl)-2-(1-methylindazol-3-yl)ethanone

C14H11BrN2OS — CID 105111002

IUPAC1-(5-bromothiophen-3-yl)-2-(1-methylindazol-3-yl)ethanone
SMILESCn1nc(CC(=O)c2csc(Br)c2)c2ccccc21
InChIInChI=1S/C14H11BrN2OS/c1-17-12-5-3-2-4-10(12)11(16-17)7-13(18)9-6-14(15)19-8-9/h2-6,8H,7H2,1H3
InChIKeyPPWRCTUUTLEYBJ-UHFFFAOYSA-N
MW335.23 g/mol
LogP3.82
Rot. Bonds3

About 1-(5-bromothiophen-3-yl)-2-(1-methylindazol-3-yl)ethanone

1-(5-bromothiophen-3-yl)-2-(1-methylindazol-3-yl)ethanone (PubChem CID 105111002) has the molecular formula C14H11BrN2OS and a molecular weight of 335.23 g/mol. Its IUPAC name is 1-(5-bromothiophen-3-yl)-2-(1-methylindazol-3-yl)ethanone.

Molecular Properties

Compound Name1-(5-bromothiophen-3-yl)-2-(1-methylindazol-3-yl)ethanone
PubChem CID105111002
Molecular FormulaC14H11BrN2OS
Molecular Weight335.23 g/mol
Exact Mass333.98
IUPAC Name1-(5-bromothiophen-3-yl)-2-(1-methylindazol-3-yl)ethanone
SMILESCn1nc(CC(=O)c2csc(Br)c2)c2ccccc21
InChIInChI=1S/C14H11BrN2OS/c1-17-12-5-3-2-4-10(12)11(16-17)7-13(18)9-6-14(15)19-8-9/h2-6,8H,7H2,1H3
InChIKeyPPWRCTUUTLEYBJ-UHFFFAOYSA-N
XLogP3.82
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.23
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromo-3-chlorophenyl)-2-(1-methylindazol-3-yl)ethanone
CID 115778454
1-(4,5-dibromothiophen-2-yl)-2-(1-methylindazol-3-yl)ethanone
CID 115778362
1-(3-amino-5-chlorophenyl)-2-(1-methylindazol-3-yl)ethanone
CID 116597401
1-(4-chloro-3-fluorophenyl)-2-(1-methylindazol-3-yl)ethanone
CID 107996468
1-(5-bromo-2-fluorophenyl)-2-(1-methylindazol-3-yl)ethanone
CID 114894285
2-(1-methylindazol-3-yl)acetamide
CID 67465474
1-(5-bromothiophen-3-yl)-2-(1-ethylbenzimidazol-2-yl)ethanone
CID 105114477
4-methyl-1-(1-methylindazol-3-yl)hexan-2-one
CID 115778384
1-(2-chlorofuran-3-yl)-2-(1-methylindazol-3-yl)ethanone
CID 106691110
1-(1-methylindazol-3-yl)-3-thiophen-3-ylpropan-2-one
CID 105111099
(5-bromothiophen-3-yl)-(1-methylindol-3-yl)methanone
CID 107959895
1-(5-fluoro-2-pyridinyl)-2-(1-methylindazol-3-yl)ethanone
CID 79722368

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-3-yl)-2-(1-methylindazol-3-yl)ethanone?
The IUPAC name of 1-(5-bromothiophen-3-yl)-2-(1-methylindazol-3-yl)ethanone (CID 105111002) is 1-(5-bromothiophen-3-yl)-2-(1-methylindazol-3-yl)ethanone.
What is the SMILES notation for 1-(5-bromothiophen-3-yl)-2-(1-methylindazol-3-yl)ethanone?
The canonical SMILES for 1-(5-bromothiophen-3-yl)-2-(1-methylindazol-3-yl)ethanone is Cn1nc(CC(=O)c2csc(Br)c2)c2ccccc21.
What is the InChIKey of 1-(5-bromothiophen-3-yl)-2-(1-methylindazol-3-yl)ethanone?
The InChIKey is PPWRCTUUTLEYBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2OS/c1-17-12-5-3-2-4-10(12)11(16-17)7-13(18)9-6-14(15)19-8-9/h2-6,8H,7H2,1H3.
What are the key properties of 1-(5-bromothiophen-3-yl)-2-(1-methylindazol-3-yl)ethanone?
1-(5-bromothiophen-3-yl)-2-(1-methylindazol-3-yl)ethanone has a molecular weight of 335.23 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-3-yl)-2-(1-methylindazol-3-yl)ethanone is sourced from PubChem (CID 105111002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).