N-[1-(5-chlorothiophen-2-yl)ethyl]-1H-indazol-6-amine

C13H12ClN3S — CID 43743466

IUPACN-[1-(5-chlorothiophen-2-yl)ethyl]-1H-indazol-6-amine
SMILESCC(Nc1ccc2cn[nH]c2c1)c1ccc(Cl)s1
InChIInChI=1S/C13H12ClN3S/c1-8(12-4-5-13(14)18-12)16-10-3-2-9-7-15-17-11(9)6-10/h2-8,16H,1H3,(H,15,17)
InChIKeyOLWUBHDEVUVVBS-UHFFFAOYSA-N
MW277.78 g/mol
LogP4.45
Rot. Bonds3

About N-[1-(5-chlorothiophen-2-yl)ethyl]-1H-indazol-6-amine

N-[1-(5-chlorothiophen-2-yl)ethyl]-1H-indazol-6-amine (PubChem CID 43743466) has the molecular formula C13H12ClN3S and a molecular weight of 277.78 g/mol. Its IUPAC name is N-[1-(5-chlorothiophen-2-yl)ethyl]-1H-indazol-6-amine.

Molecular Properties

Compound NameN-[1-(5-chlorothiophen-2-yl)ethyl]-1H-indazol-6-amine
PubChem CID43743466
Molecular FormulaC13H12ClN3S
Molecular Weight277.78 g/mol
Exact Mass277.04
IUPAC NameN-[1-(5-chlorothiophen-2-yl)ethyl]-1H-indazol-6-amine
SMILESCC(Nc1ccc2cn[nH]c2c1)c1ccc(Cl)s1
InChIInChI=1S/C13H12ClN3S/c1-8(12-4-5-13(14)18-12)16-10-3-2-9-7-15-17-11(9)6-10/h2-8,16H,1H3,(H,15,17)
InChIKeyOLWUBHDEVUVVBS-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

6-N-[1-(5-chlorothiophen-2-yl)ethyl]-1H-indazole-5,6-diamine
CID 107489383
N-[1-(4-bromothiophen-2-yl)ethyl]-1H-indazol-6-amine
CID 107354219
N-[1-(5-chlorothiophen-2-yl)ethyl]-4-(1H-pyrazol-5-yl)aniline
CID 43733318
N-(2-methyl-1-thiophen-2-ylpropyl)-1H-indazol-6-amine
CID 43790617
4-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-methylbenzene-1,4-diamine
CID 54954956
5-N-[1-(5-chlorothiophen-2-yl)ethyl]pyridine-2,5-diamine
CID 61468979
N-(4-methylpentan-2-yl)-1H-indazol-6-amine
CID 43743502
3,5-dichloro-N-[1-(5-chlorothiophen-2-yl)ethyl]aniline
CID 43438966
N-[1-(5-chlorothiophen-2-yl)ethyl]-4-propan-2-ylaniline
CID 43381993
N-[1-(2,4-difluorophenyl)ethyl]-1H-indazol-6-amine
CID 43743449
5-chloro-N-(1H-indazol-6-yl)thiophene-2-sulfonamide
CID 2444866
N-(5-methylheptan-3-yl)-1H-indazol-6-amine
CID 43743481

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-1H-indazol-6-amine?
The IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-1H-indazol-6-amine (CID 43743466) is N-[1-(5-chlorothiophen-2-yl)ethyl]-1H-indazol-6-amine.
What is the SMILES notation for N-[1-(5-chlorothiophen-2-yl)ethyl]-1H-indazol-6-amine?
The canonical SMILES for N-[1-(5-chlorothiophen-2-yl)ethyl]-1H-indazol-6-amine is CC(Nc1ccc2cn[nH]c2c1)c1ccc(Cl)s1.
What is the InChIKey of N-[1-(5-chlorothiophen-2-yl)ethyl]-1H-indazol-6-amine?
The InChIKey is OLWUBHDEVUVVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3S/c1-8(12-4-5-13(14)18-12)16-10-3-2-9-7-15-17-11(9)6-10/h2-8,16H,1H3,(H,15,17).
What are the key properties of N-[1-(5-chlorothiophen-2-yl)ethyl]-1H-indazol-6-amine?
N-[1-(5-chlorothiophen-2-yl)ethyl]-1H-indazol-6-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-2-yl)ethyl]-1H-indazol-6-amine is sourced from PubChem (CID 43743466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).