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Chemical ID: 4735953
Chemical ID:
4735953
Name [?]:
1-[2-(2-methylthiazol-4-yl)thiazol-4-yl]ethanone
SMILES [?]:
Cc1nc(cs1)c2nc(cs2)C(=O)C
InChi [?]:
InChI=1/C9H8N2OS2/c1-5(12)7-3-14-9(11-7)8-4-13-6(2)10-8/h3-4H,1-2H3
InChi Info:
AuxInfo=1/0/N:14,1,10,5,12,2,9,4,7,3,8,13,6,11/rA:14nCCNCCSCNCCSCOC/rB:s1;d2;s3;d4;s2s5;s4;d7;s8;d9;s7s10;s9;d12;s12;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H8N2OS2 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.97859 |
Area: | 397.668 |
Solvation: | -1.9631 |
Coulombic: | -19.04 |
Bond Count [?]
All: | 15 |
Single: | 10 |
Double: | 5 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 224.305 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 1.05 |
LogP (Chemaxon): | 1.43 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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