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Chemical ID: 4982490
Chemical ID:
4982490
Name [?]:
4-(2-ethoxy-5-isopropyl-phenyl)thiazol-2-amine
SMILES [?]:
CCOc1ccc(cc1c2csc(n2)N)C(C)C
InChi [?]:
InChI=1/C14H18N2OS/c1-4-17-13-6-5-10(9(2)3)7-11(13)12-8-18-14(15)16-12/h5-9H,4H2,1-3H3,(H2,15,16)
InChi Info:
AuxInfo=1/1/N:1,17,18,2,6,5,8,11,16,7,9,10,4,13,15,14,3,12/E:(2,3)/rA:18nCCOCCCCCCCCSCNNCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;d10;s11;s12;s10d13;s13;s7;s16;s16;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H18N2OS |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.51218 |
Area: | 459.209 |
Solvation: | -2.96805 |
Coulombic: | -30.1596 |
Bond Count [?]
All: | 19 |
Single: | 14 |
Double: | 5 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 262.372 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 3.78 |
LogP (Chemaxon): | 3.89 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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