2-(2,3-dihydro-1H-indol-3-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine

C14H17N3S — CID 80577045

IUPAC2-(2,3-dihydro-1H-indol-3-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
SMILESc1ccc2c(c1)NCC2CCNCc1nccs1
InChIInChI=1S/C14H17N3S/c1-2-4-13-12(3-1)11(9-17-13)5-6-15-10-14-16-7-8-18-14/h1-4,7-8,11,15,17H,5-6,9-10H2
InChIKeyYFCWWJZYYGCODK-UHFFFAOYSA-N
MW259.38 g/mol
LogP2.83
Rot. Bonds5

About 2-(2,3-dihydro-1H-indol-3-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine

2-(2,3-dihydro-1H-indol-3-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine (PubChem CID 80577045) has the molecular formula C14H17N3S and a molecular weight of 259.38 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-indol-3-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-indol-3-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
PubChem CID80577045
Molecular FormulaC14H17N3S
Molecular Weight259.38 g/mol
Exact Mass259.11
IUPAC Name2-(2,3-dihydro-1H-indol-3-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
SMILESc1ccc2c(c1)NCC2CCNCc1nccs1
InChIInChI=1S/C14H17N3S/c1-2-4-13-12(3-1)11(9-17-13)5-6-15-10-14-16-7-8-18-14/h1-4,7-8,11,15,17H,5-6,9-10H2
InChIKeyYFCWWJZYYGCODK-UHFFFAOYSA-N
XLogP2.83
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.38
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2,3-dihydro-1H-indol-3-yl)-N-[(5-ethylthiophen-2-yl)methyl]ethanamine
CID 106012227
N-[(5-bromothiophen-2-yl)methyl]-2-(2,3-dihydro-1H-indol-3-yl)ethanamine
CID 80577286
2-(2,3-dihydro-1H-indol-3-yl)-N-(furan-2-ylmethyl)ethanamine
CID 80577253
N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-2,2,2-trifluoroethanamine
CID 80577041
N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]formamide
CID 89199878
3-[2-(2,3-dihydro-1H-indol-3-yl)ethylamino]propane-1-sulfonic acid
CID 89053468
N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-1-ethylcyclobutan-1-amine
CID 113488821
N-[3-(2,3-dihydro-1H-indol-3-yl)propyl]cyclobutanamine
CID 115105527
2-(oxan-4-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 46784228
N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-2-(2-fluorophenyl)acetamide
CID 24709286
1-phenyl-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 4777619
2-(1-methylpiperidin-4-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 115614958

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-indol-3-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine?
The IUPAC name of 2-(2,3-dihydro-1H-indol-3-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine (CID 80577045) is 2-(2,3-dihydro-1H-indol-3-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-(2,3-dihydro-1H-indol-3-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine?
The canonical SMILES for 2-(2,3-dihydro-1H-indol-3-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine is c1ccc2c(c1)NCC2CCNCc1nccs1.
What is the InChIKey of 2-(2,3-dihydro-1H-indol-3-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine?
The InChIKey is YFCWWJZYYGCODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3S/c1-2-4-13-12(3-1)11(9-17-13)5-6-15-10-14-16-7-8-18-14/h1-4,7-8,11,15,17H,5-6,9-10H2.
What are the key properties of 2-(2,3-dihydro-1H-indol-3-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine?
2-(2,3-dihydro-1H-indol-3-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine has a molecular weight of 259.38 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-indol-3-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine is sourced from PubChem (CID 80577045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).