Chemical ID: 5380512

CCC1CCc2c(csc2C1)C(=O)Nc3nccs3
Chemical ID:
5380512
Name [?]:
6-ethyl-N-thiazol-2-yl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide
SMILES [?]:
CCC1CCc2c(csc2C1)C(=O)Nc3nccs3
InChi [?]:
InChI=1/C14H16N2OS2/c1-2-9-3-4-10-11(8-19-12(10)7-9)13(17)16-14-15-5-6-18-14/h5-6,8-9H,2-4,7H2,1H3,(H,15,16,17)
InChi Info:
AuxInfo=1/1/N:1,2,4,5,17,18,11,8,3,6,7,10,12,15,16,14,13,19,9/rA:19cCCCCCCCCSCCCONCNCCS/rB:s1;s2;s3;s4;s5;s6;d7;s8;d6s9;s3s10;s7;d12;s12;s14;d15;s16;d17;s15s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H16N2OS2
All Atoms:19
Heavy Atoms:19
Chiral Atoms:1
ZAP Information [?]
Total:9.39138
Area:473.264
Solvation:-2.44023
Coulombic:-27.0523
Bond Count [?]
All:21
Single:16
Double:5
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:292.422
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.37
LogP (Chemaxon):3.58

Name Annotations

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Descriptor Annotations

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