5-[(5-bromoindol-1-yl)methyl]thiophene-2-carbohydrazide

C14H12BrN3OS — CID 63577592

IUPAC5-[(5-bromoindol-1-yl)methyl]thiophene-2-carbohydrazide
SMILESNNC(=O)c1ccc(Cn2ccc3cc(Br)ccc32)s1
InChIInChI=1S/C14H12BrN3OS/c15-10-1-3-12-9(7-10)5-6-18(12)8-11-2-4-13(20-11)14(19)17-16/h1-7H,8,16H2,(H,17,19)
InChIKeyYKOAVGNYJBWTNN-UHFFFAOYSA-N
MW350.24 g/mol
LogP3.12
Rot. Bonds3

About 5-[(5-bromoindol-1-yl)methyl]thiophene-2-carbohydrazide

5-[(5-bromoindol-1-yl)methyl]thiophene-2-carbohydrazide (PubChem CID 63577592) has the molecular formula C14H12BrN3OS and a molecular weight of 350.24 g/mol. Its IUPAC name is 5-[(5-bromoindol-1-yl)methyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound Name5-[(5-bromoindol-1-yl)methyl]thiophene-2-carbohydrazide
PubChem CID63577592
Molecular FormulaC14H12BrN3OS
Molecular Weight350.24 g/mol
Exact Mass348.99
IUPAC Name5-[(5-bromoindol-1-yl)methyl]thiophene-2-carbohydrazide
SMILESNNC(=O)c1ccc(Cn2ccc3cc(Br)ccc32)s1
InChIInChI=1S/C14H12BrN3OS/c15-10-1-3-12-9(7-10)5-6-18(12)8-11-2-4-13(20-11)14(19)17-16/h1-7H,8,16H2,(H,17,19)
InChIKeyYKOAVGNYJBWTNN-UHFFFAOYSA-N
XLogP3.12
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.24
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-bromoindol-1-yl)methyl]thiophene-2-carbohydrazide?
The IUPAC name of 5-[(5-bromoindol-1-yl)methyl]thiophene-2-carbohydrazide (CID 63577592) is 5-[(5-bromoindol-1-yl)methyl]thiophene-2-carbohydrazide.
What is the SMILES notation for 5-[(5-bromoindol-1-yl)methyl]thiophene-2-carbohydrazide?
The canonical SMILES for 5-[(5-bromoindol-1-yl)methyl]thiophene-2-carbohydrazide is NNC(=O)c1ccc(Cn2ccc3cc(Br)ccc32)s1.
What is the InChIKey of 5-[(5-bromoindol-1-yl)methyl]thiophene-2-carbohydrazide?
The InChIKey is YKOAVGNYJBWTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3OS/c15-10-1-3-12-9(7-10)5-6-18(12)8-11-2-4-13(20-11)14(19)17-16/h1-7H,8,16H2,(H,17,19).
What are the key properties of 5-[(5-bromoindol-1-yl)methyl]thiophene-2-carbohydrazide?
5-[(5-bromoindol-1-yl)methyl]thiophene-2-carbohydrazide has a molecular weight of 350.24 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-bromoindol-1-yl)methyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 63577592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).