Chemical ID: 4779524

CC(C)Oc1cccc(c1)NC(=O)c2csnn2
Chemical ID:
4779524
Name [?]:
N-(3-isopropoxyphenyl)thiadiazole-4-carboxamide
SMILES [?]:
CC(C)Oc1cccc(c1)NC(=O)c2csnn2
InChi [?]:
InChI=1/C12H13N3O2S/c1-8(2)17-10-5-3-4-9(6-10)13-12(16)11-7-18-15-14-11/h3-8H,1-2H3,(H,13,16)
InChi Info:
AuxInfo=1/1/N:1,3,7,8,6,10,15,2,9,5,14,12,11,18,17,13,4,16/E:(1,2)/rA:18nCCCOCCCCCCNCOCCSNN/rB:s1;s2;s2;s4;s5;d6;s7;d8;d5s9;s9;s11;d12;s12;d14;s15;s16;s14d17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H13N3O2S
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:8.45084
Area:453.496
Solvation:-2.88657
Coulombic:-31.1454
Bond Count [?]
All:19
Single:13
Double:6
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:263.317
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.58
LogP (Chemaxon):2.01

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Descriptor Annotations

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