N-[1-(5-chlorothiophen-3-yl)ethyl]-1H-indazol-4-amine

C13H12ClN3S — CID 114082695

IUPACN-[1-(5-chlorothiophen-3-yl)ethyl]-1H-indazol-4-amine
SMILESCC(Nc1cccc2[nH]ncc12)c1csc(Cl)c1
InChIInChI=1S/C13H12ClN3S/c1-8(9-5-13(14)18-7-9)16-11-3-2-4-12-10(11)6-15-17-12/h2-8,16H,1H3,(H,15,17)
InChIKeyJKTDZQIJVJFCJR-UHFFFAOYSA-N
MW277.78 g/mol
LogP4.45
Rot. Bonds3

About N-[1-(5-chlorothiophen-3-yl)ethyl]-1H-indazol-4-amine

N-[1-(5-chlorothiophen-3-yl)ethyl]-1H-indazol-4-amine (PubChem CID 114082695) has the molecular formula C13H12ClN3S and a molecular weight of 277.78 g/mol. Its IUPAC name is N-[1-(5-chlorothiophen-3-yl)ethyl]-1H-indazol-4-amine.

Molecular Properties

Compound NameN-[1-(5-chlorothiophen-3-yl)ethyl]-1H-indazol-4-amine
PubChem CID114082695
Molecular FormulaC13H12ClN3S
Molecular Weight277.78 g/mol
Exact Mass277.04
IUPAC NameN-[1-(5-chlorothiophen-3-yl)ethyl]-1H-indazol-4-amine
SMILESCC(Nc1cccc2[nH]ncc12)c1csc(Cl)c1
InChIInChI=1S/C13H12ClN3S/c1-8(9-5-13(14)18-7-9)16-11-3-2-4-12-10(11)6-15-17-12/h2-8,16H,1H3,(H,15,17)
InChIKeyJKTDZQIJVJFCJR-UHFFFAOYSA-N
XLogP4.45
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.78
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[1-(5-chlorothiophen-3-yl)ethyl]-1H-indazol-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(5-chlorothiophen-3-yl)ethyl]-1H-indazol-7-amine
CID 114082685
N-(1-pyridin-3-ylethyl)-1H-indazol-4-amine
CID 54865736
N-[1-(1,3-thiazol-2-yl)ethyl]-1H-indazol-4-amine
CID 64992997
N-[1-(5-chlorothiophen-3-yl)ethyl]-2-methylaniline
CID 102976765
N-[1-(5-chlorothiophen-3-yl)ethyl]-2-methylsulfanylaniline
CID 102976894
N-[1-(4-ethoxyphenyl)ethyl]-1H-indazol-4-amine
CID 60931875
N-[1-(5-chlorothiophen-3-yl)ethyl]-2-pyrazol-1-ylaniline
CID 102976853
(2S)-2-(1H-indazol-4-ylamino)propanoic acid
CID 175797922
2,6-dibromo-N-[1-(5-chlorothiophen-3-yl)ethyl]aniline
CID 114082819
N-[1-(5-chlorothiophen-3-yl)ethyl]-4-fluoroaniline
CID 102976781
N-[3-[1-(5-chlorothiophen-3-yl)ethylamino]-2-methylphenyl]propanamide
CID 102976770
N-[1-(furan-2-yl)propan-2-yl]-1H-indazol-4-amine
CID 63086017

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chlorothiophen-3-yl)ethyl]-1H-indazol-4-amine?
The IUPAC name of N-[1-(5-chlorothiophen-3-yl)ethyl]-1H-indazol-4-amine (CID 114082695) is N-[1-(5-chlorothiophen-3-yl)ethyl]-1H-indazol-4-amine.
What is the SMILES notation for N-[1-(5-chlorothiophen-3-yl)ethyl]-1H-indazol-4-amine?
The canonical SMILES for N-[1-(5-chlorothiophen-3-yl)ethyl]-1H-indazol-4-amine is CC(Nc1cccc2[nH]ncc12)c1csc(Cl)c1.
What is the InChIKey of N-[1-(5-chlorothiophen-3-yl)ethyl]-1H-indazol-4-amine?
The InChIKey is JKTDZQIJVJFCJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3S/c1-8(9-5-13(14)18-7-9)16-11-3-2-4-12-10(11)6-15-17-12/h2-8,16H,1H3,(H,15,17).
What are the key properties of N-[1-(5-chlorothiophen-3-yl)ethyl]-1H-indazol-4-amine?
N-[1-(5-chlorothiophen-3-yl)ethyl]-1H-indazol-4-amine has a molecular weight of 277.78 g/mol, XLogP of 4.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chlorothiophen-3-yl)ethyl]-1H-indazol-4-amine is sourced from PubChem (CID 114082695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).