Chemical ID: 6699665

Cc1c([nH+]c(s1)N)c2ccc(cc2)OC
Chemical ID:
6699665
Name [?]:
4-(4-methoxyphenyl)-5-methyl-3H-thiazol-2-amine
SMILES [?]:
Cc1c([nH+]c(s1)N)c2ccc(cc2)OC
InChi [?]:
InChI=1/C11H12N2OS/c1-7-10(13-11(12)15-7)8-3-5-9(14-2)6-4-8/h3-6H,1-2H3,(H2,12,13)/p+1
InChi Info:
AuxInfo=1/1/N:1,15,9,13,10,12,2,8,11,3,5,7,4,14,6/E:(3,4)(5,6)/rA:15nCCCN+CSNCCCCCCOC/rB:s1;d2;s3;d4;s2s5;s5;s3;s8;d9;s10;d11;d8s12;s11;s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H13N2OS+
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:-23.2146
Area:394.589
Solvation:-33.0793
Coulombic:-17.3966
Bond Count [?]
All:16
Single:11
Double:5
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:221.3
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:1.96
LogP (Chemaxon):2.35

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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