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2-[2-[7-(cyclopentylamino)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]-N-ethylacetamide

HCID 66974367
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Basic information

Standard SMILES
CCNC(=O)CC1CSC(c2cc3cccc(NC4CCCC4)c3[nH]2)=N1
InChIKey
JXKGDIRTJVYORJ-UHFFFAOYSA-N
Molecular formula
C20H26N4OS
Average molar mass
370.5 g/mol

Names & identifiers

Preferred name
2-[2-[7-(cyclopentylamino)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]-N-ethylacetamide
IUPAC
2-[2-[7-(cyclopentylamino)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]-N-ethylacetamide

Names & synonyms

SCHEMBL1278000

Database identifiers

PubChem CID
66974367

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
94.6 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
4
Rotatable bonds
6
Heavy atoms
26
Formal charge
0
Complexity
534

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Related reactions

1 records
New reaction record
HRID 309492 reaction equation
HRID 309492As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

Compound notes

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