Chemical ID: 5939866

CCCCC(=O)Nc1ccc(cc1)c2csc(n2)N(CC)CC
Chemical ID:
5939866
Name [?]:
N-[4-(2-diethylaminothiazol-4-yl)phenyl]pentanamide
SMILES [?]:
CCCCC(=O)Nc1ccc(cc1)c2csc(n2)N(CC)CC
InChi [?]:
InChI=1/C18H25N3OS/c1-4-7-8-17(22)19-15-11-9-14(10-12-15)16-13-23-18(20-16)21(5-2)6-3/h9-13H,4-8H2,1-3H3,(H,19,22)
InChi Info:
AuxInfo=1/1/N:1,21,23,2,20,22,3,4,10,12,9,13,15,11,8,14,5,17,7,18,19,6,16/E:(2,3)(5,6)(9,10)(11,12)/rA:23nCCCCCONCCCCCCCCSCNNCCCC/rB:s1;s2;s3;s4;d5;s5;s7;s8;d9;s10;d11;d8s12;s11;d14;s15;s16;s14d17;s17;s19;s20;s19;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H25N3OS
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:11.9604
Area:581.195
Solvation:-2.56951
Coulombic:-34.0954
Bond Count [?]
All:24
Single:18
Double:6
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:331.477
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.56
LogP (Chemaxon):5.09

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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