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Chemical ID: 4982299
Chemical ID:
4982299
Name [?]:
4-(2-methoxy-5-sec-butyl-phenyl)thiazol-2-amine
SMILES [?]:
CCC(C)c1ccc(c(c1)c2csc(n2)N)OC
InChi [?]:
InChI=1/C14H18N2OS/c1-4-9(2)10-5-6-13(17-3)11(7-10)12-8-18-14(15)16-12/h5-9H,4H2,1-3H3,(H2,15,16)
InChi Info:
AuxInfo=1/1/N:1,4,18,2,6,7,10,12,3,5,9,11,8,14,16,15,17,13/rA:18cCCCCCCCCCCCCSCNNOC/rB:s1;s2;s3;s3;s5;d6;s7;d8;d5s9;s9;d11;s12;s13;s11d14;s14;s8;s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H18N2OS |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.39001 |
Area: | 458.319 |
Solvation: | -3.06796 |
Coulombic: | -30.2628 |
Bond Count [?]
All: | 19 |
Single: | 14 |
Double: | 5 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 262.372 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 3.93 |
LogP (Chemaxon): | 3.94 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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