2-indazol-1-yl-2-(3-methylthiophen-2-yl)ethanamine

C14H15N3S — CID 55041220

IUPAC2-indazol-1-yl-2-(3-methylthiophen-2-yl)ethanamine
SMILESCc1ccsc1C(CN)n1ncc2ccccc21
InChIInChI=1S/C14H15N3S/c1-10-6-7-18-14(10)13(8-15)17-12-5-3-2-4-11(12)9-16-17/h2-7,9,13H,8,15H2,1H3
InChIKeyNKMPNNRQYQUTIO-UHFFFAOYSA-N
MW257.36 g/mol
LogP2.95
Rot. Bonds3

About 2-indazol-1-yl-2-(3-methylthiophen-2-yl)ethanamine

2-indazol-1-yl-2-(3-methylthiophen-2-yl)ethanamine (PubChem CID 55041220) has the molecular formula C14H15N3S and a molecular weight of 257.36 g/mol. Its IUPAC name is 2-indazol-1-yl-2-(3-methylthiophen-2-yl)ethanamine.

Molecular Properties

Compound Name2-indazol-1-yl-2-(3-methylthiophen-2-yl)ethanamine
PubChem CID55041220
Molecular FormulaC14H15N3S
Molecular Weight257.36 g/mol
Exact Mass257.10
IUPAC Name2-indazol-1-yl-2-(3-methylthiophen-2-yl)ethanamine
SMILESCc1ccsc1C(CN)n1ncc2ccccc21
InChIInChI=1S/C14H15N3S/c1-10-6-7-18-14(10)13(8-15)17-12-5-3-2-4-11(12)9-16-17/h2-7,9,13H,8,15H2,1H3
InChIKeyNKMPNNRQYQUTIO-UHFFFAOYSA-N
XLogP2.95
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-indazol-1-yl-2-(3-methylthiophen-2-yl)ethanamine?
The IUPAC name of 2-indazol-1-yl-2-(3-methylthiophen-2-yl)ethanamine (CID 55041220) is 2-indazol-1-yl-2-(3-methylthiophen-2-yl)ethanamine.
What is the SMILES notation for 2-indazol-1-yl-2-(3-methylthiophen-2-yl)ethanamine?
The canonical SMILES for 2-indazol-1-yl-2-(3-methylthiophen-2-yl)ethanamine is Cc1ccsc1C(CN)n1ncc2ccccc21.
What is the InChIKey of 2-indazol-1-yl-2-(3-methylthiophen-2-yl)ethanamine?
The InChIKey is NKMPNNRQYQUTIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3S/c1-10-6-7-18-14(10)13(8-15)17-12-5-3-2-4-11(12)9-16-17/h2-7,9,13H,8,15H2,1H3.
What are the key properties of 2-indazol-1-yl-2-(3-methylthiophen-2-yl)ethanamine?
2-indazol-1-yl-2-(3-methylthiophen-2-yl)ethanamine has a molecular weight of 257.36 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-indazol-1-yl-2-(3-methylthiophen-2-yl)ethanamine is sourced from PubChem (CID 55041220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).