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Chemical ID: 3991283
Chemical ID:
3991283
Name [?]:
4-(3,4-dimethoxyphenyl)-2-methyl-thiazole
SMILES [?]:
Cc1nc(cs1)c2ccc(c(c2)OC)OC
InChi [?]:
InChI=1/C12H13NO2S/c1-8-13-10(7-16-8)9-4-5-11(14-2)12(6-9)15-3/h4-7H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,16,14,8,9,12,5,2,7,4,10,11,3,15,13,6/rA:16nCCNCCSCCCCCCOCOC/rB:s1;d2;s3;d4;s2s5;s4;s7;d8;s9;d10;d7s11;s11;s13;s10;s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H13NO2S |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.92268 |
Area: | 415.932 |
Solvation: | -4.47562 |
Coulombic: | -19.4357 |
Bond Count [?]
All: | 17 |
Single: | 12 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 235.303 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 2.28 |
LogP (Chemaxon): | 2.26 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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