2-(1-ethylindazol-3-yl)-1-(3-ethylthiophen-2-yl)ethanamine

C17H21N3S — CID 104999362

IUPAC2-(1-ethylindazol-3-yl)-1-(3-ethylthiophen-2-yl)ethanamine
SMILESCCc1ccsc1C(N)Cc1nn(CC)c2ccccc12
InChIInChI=1S/C17H21N3S/c1-3-12-9-10-21-17(12)14(18)11-15-13-7-5-6-8-16(13)20(4-2)19-15/h5-10,14H,3-4,11,18H2,1-2H3
InChIKeyVSTUKLOFPSHOIQ-UHFFFAOYSA-N
MW299.44 g/mol
LogP3.92
Rot. Bonds5

About 2-(1-ethylindazol-3-yl)-1-(3-ethylthiophen-2-yl)ethanamine

2-(1-ethylindazol-3-yl)-1-(3-ethylthiophen-2-yl)ethanamine (PubChem CID 104999362) has the molecular formula C17H21N3S and a molecular weight of 299.44 g/mol. Its IUPAC name is 2-(1-ethylindazol-3-yl)-1-(3-ethylthiophen-2-yl)ethanamine.

Molecular Properties

Compound Name2-(1-ethylindazol-3-yl)-1-(3-ethylthiophen-2-yl)ethanamine
PubChem CID104999362
Molecular FormulaC17H21N3S
Molecular Weight299.44 g/mol
Exact Mass299.15
IUPAC Name2-(1-ethylindazol-3-yl)-1-(3-ethylthiophen-2-yl)ethanamine
SMILESCCc1ccsc1C(N)Cc1nn(CC)c2ccccc12
InChIInChI=1S/C17H21N3S/c1-3-12-9-10-21-17(12)14(18)11-15-13-7-5-6-8-16(13)20(4-2)19-15/h5-10,14H,3-4,11,18H2,1-2H3
InChIKeyVSTUKLOFPSHOIQ-UHFFFAOYSA-N
XLogP3.92
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3-diethylpyrazol-5-yl)-1-(3-ethylthiophen-2-yl)ethanamine
CID 105001574
4-(1-ethylindazol-3-yl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 115346080
3-(1-ethylindazol-3-yl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 79092614
1-(1,5-dimethylpyrazol-4-yl)-2-(1-ethylindazol-3-yl)ethanamine
CID 105160306
2-(1-ethylindazol-3-yl)-1-(5-methyloxolan-3-yl)ethanamine
CID 104999436
1-(3-ethylthiophen-2-yl)-2-pyridin-2-ylethanamine
CID 79975756
1-(3-ethylthiophen-2-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine
CID 105006670
3-[2-(chloromethyl)-3,3-dimethylbutyl]-1-ethylindazole
CID 83139466
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-ethylthiophen-2-yl)ethanamine
CID 105019639
4-amino-1-(1-ethylindazol-3-yl)-4-methylpentan-2-one
CID 116581243
2-(2,6-dimethylphenyl)-1-(3-ethylthiophen-2-yl)ethanamine
CID 105024445
1-(1-ethylindazol-3-yl)-3,4-dimethylpentan-2-ol
CID 115813657

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylindazol-3-yl)-1-(3-ethylthiophen-2-yl)ethanamine?
The IUPAC name of 2-(1-ethylindazol-3-yl)-1-(3-ethylthiophen-2-yl)ethanamine (CID 104999362) is 2-(1-ethylindazol-3-yl)-1-(3-ethylthiophen-2-yl)ethanamine.
What is the SMILES notation for 2-(1-ethylindazol-3-yl)-1-(3-ethylthiophen-2-yl)ethanamine?
The canonical SMILES for 2-(1-ethylindazol-3-yl)-1-(3-ethylthiophen-2-yl)ethanamine is CCc1ccsc1C(N)Cc1nn(CC)c2ccccc12.
What is the InChIKey of 2-(1-ethylindazol-3-yl)-1-(3-ethylthiophen-2-yl)ethanamine?
The InChIKey is VSTUKLOFPSHOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3S/c1-3-12-9-10-21-17(12)14(18)11-15-13-7-5-6-8-16(13)20(4-2)19-15/h5-10,14H,3-4,11,18H2,1-2H3.
What are the key properties of 2-(1-ethylindazol-3-yl)-1-(3-ethylthiophen-2-yl)ethanamine?
2-(1-ethylindazol-3-yl)-1-(3-ethylthiophen-2-yl)ethanamine has a molecular weight of 299.44 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylindazol-3-yl)-1-(3-ethylthiophen-2-yl)ethanamine is sourced from PubChem (CID 104999362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).