Chemical ID: 4982277

Cc1cc(c(c(c1OC)C)C)c2csc(n2)N
Chemical ID:
4982277
Name [?]:
4-(4-methoxy-2,3,5-trimethyl-phenyl)thiazol-2-amine
SMILES [?]:
Cc1cc(c(c(c1OC)C)C)c2csc(n2)N
InChi [?]:
InChI=1/C13H16N2OS/c1-7-5-10(11-6-17-13(14)15-11)8(2)9(3)12(7)16-4/h5-6H,1-4H3,(H2,14,15)
InChi Info:
AuxInfo=1/1/N:1,11,10,9,3,13,2,5,6,4,12,7,15,17,16,8,14/rA:17nCCCCCCCOCCCCCSCNN/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s6;s5;s4;d12;s13;s14;s12d15;s15;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H16N2OS
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:8.41082
Area:425.595
Solvation:-2.22907
Coulombic:-30.3678
Bond Count [?]
All:18
Single:13
Double:5
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:248.345
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:2.85
LogP (Chemaxon):3.76

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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