N-[(1-methylindazol-3-yl)methyl]-1-(5-methylthiophen-2-yl)ethanamine

C16H19N3S — CID 63001054

IUPACN-[(1-methylindazol-3-yl)methyl]-1-(5-methylthiophen-2-yl)ethanamine
SMILESCc1ccc(C(C)NCc2nn(C)c3ccccc23)s1
InChIInChI=1S/C16H19N3S/c1-11-8-9-16(20-11)12(2)17-10-14-13-6-4-5-7-15(13)19(3)18-14/h4-9,12,17H,10H2,1-3H3
InChIKeyHOAKTFCJGQXYOB-UHFFFAOYSA-N
MW285.42 g/mol
LogP3.79
Rot. Bonds4

About N-[(1-methylindazol-3-yl)methyl]-1-(5-methylthiophen-2-yl)ethanamine

N-[(1-methylindazol-3-yl)methyl]-1-(5-methylthiophen-2-yl)ethanamine (PubChem CID 63001054) has the molecular formula C16H19N3S and a molecular weight of 285.42 g/mol. Its IUPAC name is N-[(1-methylindazol-3-yl)methyl]-1-(5-methylthiophen-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(1-methylindazol-3-yl)methyl]-1-(5-methylthiophen-2-yl)ethanamine
PubChem CID63001054
Molecular FormulaC16H19N3S
Molecular Weight285.42 g/mol
Exact Mass285.13
IUPAC NameN-[(1-methylindazol-3-yl)methyl]-1-(5-methylthiophen-2-yl)ethanamine
SMILESCc1ccc(C(C)NCc2nn(C)c3ccccc23)s1
InChIInChI=1S/C16H19N3S/c1-11-8-9-16(20-11)12(2)17-10-14-13-6-4-5-7-15(13)19(3)18-14/h4-9,12,17H,10H2,1-3H3
InChIKeyHOAKTFCJGQXYOB-UHFFFAOYSA-N
XLogP3.79
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.42
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dimethylthiophen-3-yl)-N-[(1-methylindazol-3-yl)methyl]ethanamine
CID 63000435
(1S)-N-[(1-methylindazol-3-yl)methyl]-1-(4-methylphenyl)ethanamine
CID 81349025
N-[(1,3-dimethylindol-2-yl)methyl]-1-(5-methylthiophen-2-yl)ethanamine
CID 107235503
N-[(1-methylindazol-3-yl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 63091933
(1R)-1-(2-bromophenyl)-N-[(1-methylindazol-3-yl)methyl]ethanamine
CID 81378061
(1R)-1-(4-fluorophenyl)-N-[(1-methylindazol-3-yl)methyl]ethanamine
CID 81348302
1-(2,5-dimethylfuran-3-yl)-N-[(1-methylindazol-3-yl)methyl]ethanamine
CID 63001727
N-[(1-methylindazol-3-yl)methyl]-1-methylsulfanylpropan-2-amine
CID 115639747
(1R)-1-(3-fluorophenyl)-N-[(1-methylindazol-3-yl)methyl]ethanamine
CID 81352245
(2R)-2-[(1-methylindazol-3-yl)methylamino]propanoic acid
CID 83195291
4-methyl-3-[(1-methylindazol-3-yl)methylamino]pentan-1-ol
CID 103701006
N,N,1,3-tetramethyl-4-[[[(1S)-1-(5-methylthiophen-2-yl)ethyl]amino]methyl]pyrazol-5-amine
CID 95139826

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylindazol-3-yl)methyl]-1-(5-methylthiophen-2-yl)ethanamine?
The IUPAC name of N-[(1-methylindazol-3-yl)methyl]-1-(5-methylthiophen-2-yl)ethanamine (CID 63001054) is N-[(1-methylindazol-3-yl)methyl]-1-(5-methylthiophen-2-yl)ethanamine.
What is the SMILES notation for N-[(1-methylindazol-3-yl)methyl]-1-(5-methylthiophen-2-yl)ethanamine?
The canonical SMILES for N-[(1-methylindazol-3-yl)methyl]-1-(5-methylthiophen-2-yl)ethanamine is Cc1ccc(C(C)NCc2nn(C)c3ccccc23)s1.
What is the InChIKey of N-[(1-methylindazol-3-yl)methyl]-1-(5-methylthiophen-2-yl)ethanamine?
The InChIKey is HOAKTFCJGQXYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3S/c1-11-8-9-16(20-11)12(2)17-10-14-13-6-4-5-7-15(13)19(3)18-14/h4-9,12,17H,10H2,1-3H3.
What are the key properties of N-[(1-methylindazol-3-yl)methyl]-1-(5-methylthiophen-2-yl)ethanamine?
N-[(1-methylindazol-3-yl)methyl]-1-(5-methylthiophen-2-yl)ethanamine has a molecular weight of 285.42 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylindazol-3-yl)methyl]-1-(5-methylthiophen-2-yl)ethanamine is sourced from PubChem (CID 63001054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).