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Chemical ID: 4703752
Chemical ID:
4703752
Name [?]:
5-methyl-2-pyrazin-2-yl-thiazol-4-ol
SMILES [?]:
Cc1c(nc(s1)c2cnccn2)O
InChi [?]:
InChI=1/C8H7N3OS/c1-5-7(12)11-8(13-5)6-4-9-2-3-10-6/h2-4,12H,1H3
InChi Info:
AuxInfo=1/0/N:1,10,11,8,2,7,3,5,9,12,4,13,6/rA:13nCCCNCSCCNCCNO/rB:s1;d2;s3;d4;s2s5;s5;s7;d8;s9;d10;d7s11;s3;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H7N3OS |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.4365 |
Area: | 355.774 |
Solvation: | -2.45784 |
Coulombic: | -31.9122 |
Bond Count [?]
All: | 14 |
Single: | 9 |
Double: | 5 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 193.227 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 0.13 |
LogP (Chemaxon): | 0.88 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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