N-[[4-(2,3-dihydroindol-1-ylmethyl)-1,3-thiazol-2-yl]methyl]ethanamine

C15H19N3S — CID 62425225

IUPACN-[[4-(2,3-dihydroindol-1-ylmethyl)-1,3-thiazol-2-yl]methyl]ethanamine
SMILESCCNCc1nc(CN2CCc3ccccc32)cs1
InChIInChI=1S/C15H19N3S/c1-2-16-9-15-17-13(11-19-15)10-18-8-7-12-5-3-4-6-14(12)18/h3-6,11,16H,2,7-10H2,1H3
InChIKeyXBAKRMQDUDXXDC-UHFFFAOYSA-N
MW273.41 g/mol
LogP2.82
Rot. Bonds5

About N-[[4-(2,3-dihydroindol-1-ylmethyl)-1,3-thiazol-2-yl]methyl]ethanamine

N-[[4-(2,3-dihydroindol-1-ylmethyl)-1,3-thiazol-2-yl]methyl]ethanamine (PubChem CID 62425225) has the molecular formula C15H19N3S and a molecular weight of 273.41 g/mol. Its IUPAC name is N-[[4-(2,3-dihydroindol-1-ylmethyl)-1,3-thiazol-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(2,3-dihydroindol-1-ylmethyl)-1,3-thiazol-2-yl]methyl]ethanamine
PubChem CID62425225
Molecular FormulaC15H19N3S
Molecular Weight273.41 g/mol
Exact Mass273.13
IUPAC NameN-[[4-(2,3-dihydroindol-1-ylmethyl)-1,3-thiazol-2-yl]methyl]ethanamine
SMILESCCNCc1nc(CN2CCc3ccccc32)cs1
InChIInChI=1S/C15H19N3S/c1-2-16-9-15-17-13(11-19-15)10-18-8-7-12-5-3-4-6-14(12)18/h3-6,11,16H,2,7-10H2,1H3
InChIKeyXBAKRMQDUDXXDC-UHFFFAOYSA-N
XLogP2.82
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.41
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 62439479
N-[[4-(azocan-1-ylmethyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 62417685
6-(2,3-dihydroindol-1-ylmethyl)-N-ethylpyridin-2-amine
CID 79242706
N-[[4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]methyl]ethanamine
CID 102745994
N-[[4-(1,4-thiazepan-4-ylmethyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 62413635
N-[[4-[(4-tert-butylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]ethanamine
CID 62411427
N-[[4-[(4-phenylpyrazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]ethanamine
CID 62771879
N-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-N,1-dimethylpiperidin-4-amine
CID 62423737
N-[[4-(1,4-oxazepan-4-ylmethyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 62974846
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-(2-methoxyphenyl)-1,3-thiazole
CID 4795881
N-[[4-[(2-methylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]methyl]ethanamine
CID 55070265
N-[[4-[(3,3-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]methyl]ethanamine
CID 62463271

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2,3-dihydroindol-1-ylmethyl)-1,3-thiazol-2-yl]methyl]ethanamine?
The IUPAC name of N-[[4-(2,3-dihydroindol-1-ylmethyl)-1,3-thiazol-2-yl]methyl]ethanamine (CID 62425225) is N-[[4-(2,3-dihydroindol-1-ylmethyl)-1,3-thiazol-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[4-(2,3-dihydroindol-1-ylmethyl)-1,3-thiazol-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[4-(2,3-dihydroindol-1-ylmethyl)-1,3-thiazol-2-yl]methyl]ethanamine is CCNCc1nc(CN2CCc3ccccc32)cs1.
What is the InChIKey of N-[[4-(2,3-dihydroindol-1-ylmethyl)-1,3-thiazol-2-yl]methyl]ethanamine?
The InChIKey is XBAKRMQDUDXXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c1-2-16-9-15-17-13(11-19-15)10-18-8-7-12-5-3-4-6-14(12)18/h3-6,11,16H,2,7-10H2,1H3.
What are the key properties of N-[[4-(2,3-dihydroindol-1-ylmethyl)-1,3-thiazol-2-yl]methyl]ethanamine?
N-[[4-(2,3-dihydroindol-1-ylmethyl)-1,3-thiazol-2-yl]methyl]ethanamine has a molecular weight of 273.41 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2,3-dihydroindol-1-ylmethyl)-1,3-thiazol-2-yl]methyl]ethanamine is sourced from PubChem (CID 62425225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).