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Chemical ID: 7284977
Chemical ID:
7284977
Name [?]:
4-(2,5-dimethylphenyl)-N-ethyl-5-methyl-thiazol-2-amine
SMILES [?]:
CCNc1nc(c(s1)C)c2cc(ccc2C)C
InChi [?]:
InChI=1/C14H18N2S/c1-5-15-14-16-13(11(4)17-14)12-8-9(2)6-7-10(12)3/h6-8H,5H2,1-4H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,17,16,9,2,13,14,11,12,15,7,10,6,4,3,5,8/rA:17nCCNCNCCSCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;s4s7;s7;s6;s10;d11;s12;d13;d10s14;s15;s12;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H18N2S |
All Atoms: | 35 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.89677 |
Area: | 442.102 |
Solvation: | -1.15577 |
Coulombic: | -19.7597 |
Bond Count [?]
All: | 18 |
Single: | 13 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 246.372 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 3.65 |
LogP (Chemaxon): | 4.24 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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