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Chemical ID: 3994429
Chemical ID:
3994429
Name [?]:
4-(4-pyridyl)thiazol-2-amine
SMILES [?]:
c1cnccc1c2csc(n2)N
InChi [?]:
InChI=1/C8H7N3S/c9-8-11-7(5-12-8)6-1-3-10-4-2-6/h1-5H,(H2,9,11)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,8,6,7,10,12,3,11,9/E:(1,2)(3,4)/rA:12nCCNCCCCCSCNN/rB:s1;d2;s3;d4;d1s5;s6;d7;s8;s9;s7d10;s10;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H7N3S |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.56445 |
Area: | 337.365 |
Solvation: | -1.86967 |
Coulombic: | -26.6875 |
Bond Count [?]
All: | 13 |
Single: | 8 |
Double: | 5 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 177.227 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 1 |
XLogP: | 0.79 |
LogP (Chemaxon): | 1.29 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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