Chemical ID: 4982181

CCOc1ccc(cc1c2csc(n2)N)C
Chemical ID:
4982181
Name [?]:
4-(2-ethoxy-5-methyl-phenyl)thiazol-2-amine
SMILES [?]:
CCOc1ccc(cc1c2csc(n2)N)C
InChi [?]:
InChI=1/C12H14N2OS/c1-3-15-11-5-4-8(2)6-9(11)10-7-16-12(13)14-10/h4-7H,3H2,1-2H3,(H2,13,14)
InChi Info:
AuxInfo=1/1/N:1,16,2,6,5,8,11,7,9,10,4,13,15,14,3,12/rA:16nCCOCCCCCCCCSCNNC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;d10;s11;s12;s10d13;s13;s7;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H14N2OS
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:7.38197
Area:414.298
Solvation:-2.9755
Coulombic:-29.5123
Bond Count [?]
All:17
Single:12
Double:5
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:234.318
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:2.82
LogP (Chemaxon):3.16

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Descriptor Annotations

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