N-[1-(4-bromothiophen-2-yl)ethyl]-1H-indazol-6-amine

C13H12BrN3S — CID 107354219

IUPACN-[1-(4-bromothiophen-2-yl)ethyl]-1H-indazol-6-amine
SMILESCC(Nc1ccc2cn[nH]c2c1)c1cc(Br)cs1
InChIInChI=1S/C13H12BrN3S/c1-8(13-4-10(14)7-18-13)16-11-3-2-9-6-15-17-12(9)5-11/h2-8,16H,1H3,(H,15,17)
InChIKeyYCOLKNRIKYDVDB-UHFFFAOYSA-N
MW322.23 g/mol
LogP4.56
Rot. Bonds3

About N-[1-(4-bromothiophen-2-yl)ethyl]-1H-indazol-6-amine

N-[1-(4-bromothiophen-2-yl)ethyl]-1H-indazol-6-amine (PubChem CID 107354219) has the molecular formula C13H12BrN3S and a molecular weight of 322.23 g/mol. Its IUPAC name is N-[1-(4-bromothiophen-2-yl)ethyl]-1H-indazol-6-amine.

Molecular Properties

Compound NameN-[1-(4-bromothiophen-2-yl)ethyl]-1H-indazol-6-amine
PubChem CID107354219
Molecular FormulaC13H12BrN3S
Molecular Weight322.23 g/mol
Exact Mass320.99
IUPAC NameN-[1-(4-bromothiophen-2-yl)ethyl]-1H-indazol-6-amine
SMILESCC(Nc1ccc2cn[nH]c2c1)c1cc(Br)cs1
InChIInChI=1S/C13H12BrN3S/c1-8(13-4-10(14)7-18-13)16-11-3-2-9-6-15-17-12(9)5-11/h2-8,16H,1H3,(H,15,17)
InChIKeyYCOLKNRIKYDVDB-UHFFFAOYSA-N
XLogP4.56
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.23
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(5-chlorothiophen-2-yl)ethyl]-1H-indazol-6-amine
CID 43743466
N-(2-methyl-1-thiophen-2-ylpropyl)-1H-indazol-6-amine
CID 43790617
N-[1-(4-bromothiophen-2-yl)ethyl]-1H-pyrazol-4-amine
CID 107353952
N-[1-(2,4-difluorophenyl)ethyl]-1H-indazol-6-amine
CID 43743449
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-1H-indazol-6-amine
CID 43790611
N-(4-methylpentan-2-yl)-1H-indazol-6-amine
CID 43743502
N-[1-(4-bromothiophen-2-yl)ethyl]-2-methyl-1,3-benzoxazol-5-amine
CID 107167672
N-[1-(4-bromothiophen-2-yl)ethyl]-4-fluoro-3-methylaniline
CID 107354369
N-(5-methylheptan-3-yl)-1H-indazol-6-amine
CID 43743481
N-[1-(1-methylcyclopropyl)ethyl]-1H-indazol-6-amine
CID 43743475
4-N-[1-(4-bromothiophen-2-yl)ethyl]-2-chloro-1-N,1-N-dimethylbenzene-1,4-diamine
CID 107354291
3-(4-bromothiophen-2-yl)-N-(1H-indazol-6-yl)propanamide
CID 166179582

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromothiophen-2-yl)ethyl]-1H-indazol-6-amine?
The IUPAC name of N-[1-(4-bromothiophen-2-yl)ethyl]-1H-indazol-6-amine (CID 107354219) is N-[1-(4-bromothiophen-2-yl)ethyl]-1H-indazol-6-amine.
What is the SMILES notation for N-[1-(4-bromothiophen-2-yl)ethyl]-1H-indazol-6-amine?
The canonical SMILES for N-[1-(4-bromothiophen-2-yl)ethyl]-1H-indazol-6-amine is CC(Nc1ccc2cn[nH]c2c1)c1cc(Br)cs1.
What is the InChIKey of N-[1-(4-bromothiophen-2-yl)ethyl]-1H-indazol-6-amine?
The InChIKey is YCOLKNRIKYDVDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3S/c1-8(13-4-10(14)7-18-13)16-11-3-2-9-6-15-17-12(9)5-11/h2-8,16H,1H3,(H,15,17).
What are the key properties of N-[1-(4-bromothiophen-2-yl)ethyl]-1H-indazol-6-amine?
N-[1-(4-bromothiophen-2-yl)ethyl]-1H-indazol-6-amine has a molecular weight of 322.23 g/mol, XLogP of 4.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromothiophen-2-yl)ethyl]-1H-indazol-6-amine is sourced from PubChem (CID 107354219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).