N-[1-(5-chlorothiophen-3-yl)ethyl]-1H-indazol-7-amine

C13H12ClN3S — CID 114082685

IUPACN-[1-(5-chlorothiophen-3-yl)ethyl]-1H-indazol-7-amine
SMILESCC(Nc1cccc2cn[nH]c12)c1csc(Cl)c1
InChIInChI=1S/C13H12ClN3S/c1-8(10-5-12(14)18-7-10)16-11-4-2-3-9-6-15-17-13(9)11/h2-8,16H,1H3,(H,15,17)
InChIKeyOACMPUWCZPPKDN-UHFFFAOYSA-N
MW277.78 g/mol
LogP4.45
Rot. Bonds3

About N-[1-(5-chlorothiophen-3-yl)ethyl]-1H-indazol-7-amine

N-[1-(5-chlorothiophen-3-yl)ethyl]-1H-indazol-7-amine (PubChem CID 114082685) 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-7-amine.

Molecular Properties

Compound NameN-[1-(5-chlorothiophen-3-yl)ethyl]-1H-indazol-7-amine
PubChem CID114082685
Molecular FormulaC13H12ClN3S
Molecular Weight277.78 g/mol
Exact Mass277.04
IUPAC NameN-[1-(5-chlorothiophen-3-yl)ethyl]-1H-indazol-7-amine
SMILESCC(Nc1cccc2cn[nH]c12)c1csc(Cl)c1
InChIInChI=1S/C13H12ClN3S/c1-8(10-5-12(14)18-7-10)16-11-4-2-3-9-6-15-17-13(9)11/h2-8,16H,1H3,(H,15,17)
InChIKeyOACMPUWCZPPKDN-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

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Related Compounds

N-[1-(5-chlorothiophen-3-yl)ethyl]-1H-indazol-4-amine
CID 114082695
N-[1-(3-bromophenyl)ethyl]-1H-indazol-7-amine
CID 43730994
N-[1-(3-bromo-4-fluorophenyl)ethyl]-1H-indazol-7-amine
CID 43788144
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-nitrophenyl)ethyl]-1H-indazol-7-amine
CID 43730801
N-[1-(2-fluorophenyl)ethyl]-1H-indazol-7-amine
CID 43730981
4-[1-(1H-indazol-7-ylamino)ethyl]benzene-1,3-diol
CID 43730995
N-butan-2-yl-1H-indazol-7-amine
CID 43730948
N-[1-(5-chlorothiophen-3-yl)ethyl]-2-pyrazol-1-ylaniline
CID 102976853
N-[(2R)-4-methylpentan-2-yl]-1H-indazol-7-amine
CID 93272922
N-(2-methylpropyl)-1H-indazol-7-amine
CID 43730878

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chlorothiophen-3-yl)ethyl]-1H-indazol-7-amine?
The IUPAC name of N-[1-(5-chlorothiophen-3-yl)ethyl]-1H-indazol-7-amine (CID 114082685) is N-[1-(5-chlorothiophen-3-yl)ethyl]-1H-indazol-7-amine.
What is the SMILES notation for N-[1-(5-chlorothiophen-3-yl)ethyl]-1H-indazol-7-amine?
The canonical SMILES for N-[1-(5-chlorothiophen-3-yl)ethyl]-1H-indazol-7-amine is CC(Nc1cccc2cn[nH]c12)c1csc(Cl)c1.
What is the InChIKey of N-[1-(5-chlorothiophen-3-yl)ethyl]-1H-indazol-7-amine?
The InChIKey is OACMPUWCZPPKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3S/c1-8(10-5-12(14)18-7-10)16-11-4-2-3-9-6-15-17-13(9)11/h2-8,16H,1H3,(H,15,17).
What are the key properties of N-[1-(5-chlorothiophen-3-yl)ethyl]-1H-indazol-7-amine?
N-[1-(5-chlorothiophen-3-yl)ethyl]-1H-indazol-7-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-7-amine is sourced from PubChem (CID 114082685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).