2-(5-bromoindol-1-yl)-N-(1,3-thiazol-2-yl)acetamide

C13H10BrN3OS — CID 3420795

IUPAC2-(5-bromoindol-1-yl)-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(Cn1ccc2cc(Br)ccc21)Nc1nccs1
InChIInChI=1S/C13H10BrN3OS/c14-10-1-2-11-9(7-10)3-5-17(11)8-12(18)16-13-15-4-6-19-13/h1-7H,8H2,(H,15,16,18)
InChIKeyPYZRUASXWGYAJW-UHFFFAOYSA-N
MW336.21 g/mol
LogP3.50
Rot. Bonds3

About 2-(5-bromoindol-1-yl)-N-(1,3-thiazol-2-yl)acetamide

2-(5-bromoindol-1-yl)-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 3420795) has the molecular formula C13H10BrN3OS and a molecular weight of 336.21 g/mol. Its IUPAC name is 2-(5-bromoindol-1-yl)-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(5-bromoindol-1-yl)-N-(1,3-thiazol-2-yl)acetamide
PubChem CID3420795
Molecular FormulaC13H10BrN3OS
Molecular Weight336.21 g/mol
Exact Mass334.97
IUPAC Name2-(5-bromoindol-1-yl)-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(Cn1ccc2cc(Br)ccc21)Nc1nccs1
InChIInChI=1S/C13H10BrN3OS/c14-10-1-2-11-9(7-10)3-5-17(11)8-12(18)16-13-15-4-6-19-13/h1-7H,8H2,(H,15,16,18)
InChIKeyPYZRUASXWGYAJW-UHFFFAOYSA-N
XLogP3.50
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.21
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-bromoindol-1-yl)-N-(4-bromophenyl)acetamide
CID 4291378
3-(5-bromoindol-1-yl)-N-(1,3,4-thiadiazol-2-yl)propanamide
CID 45492259
2-(4-bromophenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 669868
N-(2-bromo-4,5-dimethylphenyl)-2-(5-bromoindol-1-yl)acetamide
CID 4048909
2-(5-bromoindol-1-yl)-N-(2,5-dichlorophenyl)acetamide
CID 4571080
2-(5-bromoindol-1-yl)-N-(2,3,4-trifluorophenyl)acetamide
CID 4070259
2-(6-bromo-2-oxo-3,4-dihydroquinolin-1-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 22576576
2-(5-bromoindol-1-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 40631420
2-(4-bromo-2-chlorophenoxy)-N-(1,3-thiazol-2-yl)acetamide
CID 833175
(2S)-2-[[2-(5-bromoindol-1-yl)acetyl]amino]-3-methylbutanoic acid
CID 39310431
2-(5-bromoindol-1-yl)-N-(1H-indol-5-yl)acetamide
CID 42507122
N-[(5-bromoindol-1-yl)methyl]acetamide
CID 173119259

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromoindol-1-yl)-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(5-bromoindol-1-yl)-N-(1,3-thiazol-2-yl)acetamide (CID 3420795) is 2-(5-bromoindol-1-yl)-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(5-bromoindol-1-yl)-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(5-bromoindol-1-yl)-N-(1,3-thiazol-2-yl)acetamide is O=C(Cn1ccc2cc(Br)ccc21)Nc1nccs1.
What is the InChIKey of 2-(5-bromoindol-1-yl)-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is PYZRUASXWGYAJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN3OS/c14-10-1-2-11-9(7-10)3-5-17(11)8-12(18)16-13-15-4-6-19-13/h1-7H,8H2,(H,15,16,18).
What are the key properties of 2-(5-bromoindol-1-yl)-N-(1,3-thiazol-2-yl)acetamide?
2-(5-bromoindol-1-yl)-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 336.21 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromoindol-1-yl)-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 3420795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).