Chemical ID: 3994429

c1cnccc1c2csc(n2)N
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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