Chemical ID: 6836505

CCC(=O)Nc1nc(ns1)c2ccccc2
Chemical ID:
6836505
Name [?]:
N-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide
SMILES [?]:
CCC(=O)Nc1nc(ns1)c2ccccc2
InChi [?]:
InChI=1/C11H11N3OS/c1-2-9(15)12-11-13-10(14-16-11)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,12,13,14,15)
InChi Info:
AuxInfo=1/1/N:1,2,14,13,15,12,16,11,3,8,6,5,7,9,4,10/E:(4,5)(6,7)/rA:16nCCCONCNCNSCCCCCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;s6s9;s8;s11;d12;s13;d14;d11s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H11N3OS
All Atoms:27
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:8.43437
Area:414.772
Solvation:-1.93492
Coulombic:-31.8617
Bond Count [?]
All:17
Single:11
Double:6
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:233.291
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:1.91
LogP (Chemaxon):2.76

Name Annotations

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Descriptor Annotations

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