Chemical ID: 4877564

Cc1ccccc1CSc2nnc(o2)C(C(C)C)N
Chemical ID:
4877564
Name [?]:
2-methyl-1-[5-(o-tolylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]-propan-1-amine
SMILES [?]:
Cc1ccccc1CSc2nnc(o2)C(C(C)C)N
InChi [?]:
InChI=1/C14H19N3OS/c1-9(2)12(15)13-16-17-14(18-13)19-8-11-7-5-4-6-10(11)3/h4-7,9,12H,8,15H2,1-3H3
InChi Info:
AuxInfo=1/0/N:17,18,1,4,5,3,6,8,16,2,7,15,13,10,19,12,11,14,9/E:(1,2)/rA:19cCCCCCCCCSCNNCOCCCCN/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s11;d12;s10s13;s13;s15;s16;s16;s15;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H19N3OS
All Atoms:19
Heavy Atoms:19
Chiral Atoms:1
ZAP Information [?]
Total:10.8304
Area:487.025
Solvation:-1.34527
Coulombic:-29.785
Bond Count [?]
All:20
Single:15
Double:5
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:277.386
H-Bond Donors:2
H-Bond Acceptors:1
XLogP:3.89
LogP (Chemaxon):3.1

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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