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Chemical ID: 4982277
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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