[2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-5-yl]methanamine

C13H15N3S — CID 55035254

IUPAC[2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-5-yl]methanamine
SMILESCN1CCc2cc(-c3ncc(CN)s3)ccc21
InChIInChI=1S/C13H15N3S/c1-16-5-4-9-6-10(2-3-12(9)16)13-15-8-11(7-14)17-13/h2-3,6,8H,4-5,7,14H2,1H3
InChIKeyHCNCJGHCMWZUPO-UHFFFAOYSA-N
MW245.35 g/mol
LogP2.26
Rot. Bonds2

About [2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-5-yl]methanamine

[2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-5-yl]methanamine (PubChem CID 55035254) has the molecular formula C13H15N3S and a molecular weight of 245.35 g/mol. Its IUPAC name is [2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-5-yl]methanamine
PubChem CID55035254
Molecular FormulaC13H15N3S
Molecular Weight245.35 g/mol
Exact Mass245.10
IUPAC Name[2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-5-yl]methanamine
SMILESCN1CCc2cc(-c3ncc(CN)s3)ccc21
InChIInChI=1S/C13H15N3S/c1-16-5-4-9-6-10(2-3-12(9)16)13-15-8-11(7-14)17-13/h2-3,6,8H,4-5,7,14H2,1H3
InChIKeyHCNCJGHCMWZUPO-UHFFFAOYSA-N
XLogP2.26
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-5-yl]methanamine (CID 55035254) is [2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-5-yl]methanamine is CN1CCc2cc(-c3ncc(CN)s3)ccc21.
What is the InChIKey of [2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is HCNCJGHCMWZUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3S/c1-16-5-4-9-6-10(2-3-12(9)16)13-15-8-11(7-14)17-13/h2-3,6,8H,4-5,7,14H2,1H3.
What are the key properties of [2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-5-yl]methanamine?
[2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 245.35 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 55035254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).