Chemical ID: 3995154

Cc1ccc(cc1)c2csc(n2)NCc3ccccc3OC
Chemical ID:
3995154
Name [?]:
N-[(2-methoxyphenyl)methyl]-4-(p-tolyl)thiazol-2-amine
SMILES [?]:
Cc1ccc(cc1)c2csc(n2)NCc3ccccc3OC
InChi [?]:
InChI=1/C18H18N2OS/c1-13-7-9-14(10-8-13)16-12-22-18(20-16)19-11-15-5-3-4-6-17(15)21-2/h3-10,12H,11H2,1-2H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,22,17,18,16,19,3,7,4,6,14,9,2,5,15,8,20,11,13,12,21,10/E:(7,8)(9,10)/rA:22nCCCCCCCCCSCNNCCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;s10;s8d11;s11;s13;s14;s15;d16;s17;d18;d15s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H18N2OS
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.2188
Area:530.542
Solvation:-3.04477
Coulombic:-27.7159
Bond Count [?]
All:24
Single:16
Double:8
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:310.414
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.57
LogP (Chemaxon):4.95

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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