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Chemical ID: 4700453
Chemical ID:
4700453
Name [?]:
5-methyl-2-(2-pyridyl)thiazol-4-ol
SMILES [?]:
Cc1c(nc(s1)c2ccccn2)O
InChi [?]:
InChI=1/C9H8N2OS/c1-6-8(12)11-9(13-6)7-4-2-3-5-10-7/h2-5,12H,1H3
InChi Info:
AuxInfo=1/0/N:1,9,10,8,11,2,7,3,5,12,4,13,6/rA:13nCCCNCSCCCCCNO/rB:s1;d2;s3;d4;s2s5;s5;s7;d8;s9;d10;d7s11;s3;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H8N2OS |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.908 |
Area: | 357.966 |
Solvation: | -2.04115 |
Coulombic: | -28.3191 |
Bond Count [?]
All: | 14 |
Single: | 9 |
Double: | 5 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 192.239 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 0.9 |
LogP (Chemaxon): | 2.19 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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