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Chemical ID: 7356585
Chemical ID:
7356585
Name [?]:
5-methyl-4-(p-tolyl)-N-sec-butyl-thiazol-2-amine
SMILES [?]:
CCC(C)Nc1nc(c(s1)C)c2ccc(cc2)C
InChi [?]:
InChI=1/C15H20N2S/c1-5-11(3)16-15-17-14(12(4)18-15)13-8-6-10(2)7-9-13/h6-9,11H,5H2,1-4H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,18,4,11,2,14,16,13,17,15,3,9,12,8,6,5,7,10/E:(6,7)(8,9)/rA:18cCCCCNCNCCSCCCCCCCC/rB:s1;s2;s3;s3;s5;d6;s7;d8;s6s9;s9;s8;s12;d13;s14;d15;d12s16;s15;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H20N2S |
All Atoms: | 38 |
Heavy Atoms: | 18 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.6075 |
Area: | 469.25 |
Solvation: | -1.12376 |
Coulombic: | -20.4196 |
Bond Count [?]
All: | 19 |
Single: | 14 |
Double: | 5 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 260.399 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 4.03 |
LogP (Chemaxon): | 4.65 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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