5-amino-N-[(5-bromothiophen-2-yl)methyl]-1H-indole-2-carboxamide

C14H12BrN3OS — CID 63118425

IUPAC5-amino-N-[(5-bromothiophen-2-yl)methyl]-1H-indole-2-carboxamide
SMILESNc1ccc2[nH]c(C(=O)NCc3ccc(Br)s3)cc2c1
InChIInChI=1S/C14H12BrN3OS/c15-13-4-2-10(20-13)7-17-14(19)12-6-8-5-9(16)1-3-11(8)18-12/h1-6,18H,7,16H2,(H,17,19)
InChIKeyITTQDJPKHGONBG-UHFFFAOYSA-N
MW350.24 g/mol
LogP3.50
Rot. Bonds3

About 5-amino-N-[(5-bromothiophen-2-yl)methyl]-1H-indole-2-carboxamide

5-amino-N-[(5-bromothiophen-2-yl)methyl]-1H-indole-2-carboxamide (PubChem CID 63118425) has the molecular formula C14H12BrN3OS and a molecular weight of 350.24 g/mol. Its IUPAC name is 5-amino-N-[(5-bromothiophen-2-yl)methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-[(5-bromothiophen-2-yl)methyl]-1H-indole-2-carboxamide
PubChem CID63118425
Molecular FormulaC14H12BrN3OS
Molecular Weight350.24 g/mol
Exact Mass348.99
IUPAC Name5-amino-N-[(5-bromothiophen-2-yl)methyl]-1H-indole-2-carboxamide
SMILESNc1ccc2[nH]c(C(=O)NCc3ccc(Br)s3)cc2c1
InChIInChI=1S/C14H12BrN3OS/c15-13-4-2-10(20-13)7-17-14(19)12-6-8-5-9(16)1-3-11(8)18-12/h1-6,18H,7,16H2,(H,17,19)
InChIKeyITTQDJPKHGONBG-UHFFFAOYSA-N
XLogP3.50
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.24
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-1H-indole-2-carboxamide
CID 106033368
5-amino-N-(2-methylbutyl)-1H-indole-2-carboxamide
CID 55179457
5-bromo-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1H-indole-2-carboxamide
CID 86836262
5-amino-N-methyl-1H-indole-2-carboxamide
CID 63117746
2-(4-aminophenyl)-N-[(5-bromothiophen-2-yl)methyl]acetamide
CID 54904398
5-amino-N-[(5-bromothiophen-2-yl)methyl]-2-(dimethylamino)benzamide
CID 61139225
5-amino-N-(thiolan-3-ylmethyl)-1H-indole-2-carboxamide
CID 107294763
5-amino-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1H-indole-2-carboxamide
CID 79351560
5-amino-N-(2-methylsulfinylethyl)-1H-indole-2-carboxamide
CID 113479607
5-amino-N-[(E)-pent-3-enyl]-1H-indole-2-carboxamide
CID 113465240
5-amino-N-[2-ethyl-2-(hydroxymethyl)butyl]-1H-indole-2-carboxamide
CID 106249434
N-[(5-bromothiophen-2-yl)methyl]-5-chloro-N-methyl-1H-indole-2-carboxamide
CID 55559287

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(5-bromothiophen-2-yl)methyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-amino-N-[(5-bromothiophen-2-yl)methyl]-1H-indole-2-carboxamide (CID 63118425) is 5-amino-N-[(5-bromothiophen-2-yl)methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-amino-N-[(5-bromothiophen-2-yl)methyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-amino-N-[(5-bromothiophen-2-yl)methyl]-1H-indole-2-carboxamide is Nc1ccc2[nH]c(C(=O)NCc3ccc(Br)s3)cc2c1.
What is the InChIKey of 5-amino-N-[(5-bromothiophen-2-yl)methyl]-1H-indole-2-carboxamide?
The InChIKey is ITTQDJPKHGONBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3OS/c15-13-4-2-10(20-13)7-17-14(19)12-6-8-5-9(16)1-3-11(8)18-12/h1-6,18H,7,16H2,(H,17,19).
What are the key properties of 5-amino-N-[(5-bromothiophen-2-yl)methyl]-1H-indole-2-carboxamide?
5-amino-N-[(5-bromothiophen-2-yl)methyl]-1H-indole-2-carboxamide has a molecular weight of 350.24 g/mol, XLogP of 3.50, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(5-bromothiophen-2-yl)methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 63118425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).