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

C17H21N3S — CID 63000435

IUPAC1-(2,5-dimethylthiophen-3-yl)-N-[(1-methylindazol-3-yl)methyl]ethanamine
SMILESCc1cc(C(C)NCc2nn(C)c3ccccc23)c(C)s1
InChIInChI=1S/C17H21N3S/c1-11-9-15(13(3)21-11)12(2)18-10-16-14-7-5-6-8-17(14)20(4)19-16/h5-9,12,18H,10H2,1-4H3
InChIKeyJZQVZXYNDTWJAU-UHFFFAOYSA-N
MW299.44 g/mol
LogP4.10
Rot. Bonds4

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

1-(2,5-dimethylthiophen-3-yl)-N-[(1-methylindazol-3-yl)methyl]ethanamine (PubChem CID 63000435) has the molecular formula C17H21N3S and a molecular weight of 299.44 g/mol. Its IUPAC name is 1-(2,5-dimethylthiophen-3-yl)-N-[(1-methylindazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2,5-dimethylthiophen-3-yl)-N-[(1-methylindazol-3-yl)methyl]ethanamine
PubChem CID63000435
Molecular FormulaC17H21N3S
Molecular Weight299.44 g/mol
Exact Mass299.15
IUPAC Name1-(2,5-dimethylthiophen-3-yl)-N-[(1-methylindazol-3-yl)methyl]ethanamine
SMILESCc1cc(C(C)NCc2nn(C)c3ccccc23)c(C)s1
InChIInChI=1S/C17H21N3S/c1-11-9-15(13(3)21-11)12(2)18-10-16-14-7-5-6-8-17(14)20(4)19-16/h5-9,12,18H,10H2,1-4H3
InChIKeyJZQVZXYNDTWJAU-UHFFFAOYSA-N
XLogP4.10
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylthiophen-3-yl)-N-[(1-methylindazol-3-yl)methyl]ethanamine?
The IUPAC name of 1-(2,5-dimethylthiophen-3-yl)-N-[(1-methylindazol-3-yl)methyl]ethanamine (CID 63000435) is 1-(2,5-dimethylthiophen-3-yl)-N-[(1-methylindazol-3-yl)methyl]ethanamine.
What is the SMILES notation for 1-(2,5-dimethylthiophen-3-yl)-N-[(1-methylindazol-3-yl)methyl]ethanamine?
The canonical SMILES for 1-(2,5-dimethylthiophen-3-yl)-N-[(1-methylindazol-3-yl)methyl]ethanamine is Cc1cc(C(C)NCc2nn(C)c3ccccc23)c(C)s1.
What is the InChIKey of 1-(2,5-dimethylthiophen-3-yl)-N-[(1-methylindazol-3-yl)methyl]ethanamine?
The InChIKey is JZQVZXYNDTWJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3S/c1-11-9-15(13(3)21-11)12(2)18-10-16-14-7-5-6-8-17(14)20(4)19-16/h5-9,12,18H,10H2,1-4H3.
What are the key properties of 1-(2,5-dimethylthiophen-3-yl)-N-[(1-methylindazol-3-yl)methyl]ethanamine?
1-(2,5-dimethylthiophen-3-yl)-N-[(1-methylindazol-3-yl)methyl]ethanamine has a molecular weight of 299.44 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylthiophen-3-yl)-N-[(1-methylindazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 63000435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).