Chemical ID: 4700453

Cc1c(nc(s1)c2ccccn2)O
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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