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Chemical ID: 5277969
Chemical ID:
5277969
Name [?]:
1-[2-(4,5-dihydrothiazol-2-ylsulfanyl)acetyl]imidazolidin-2-one
SMILES [?]:
C1CN(C(=O)N1)C(=O)CSC2=NCCS2
InChi [?]:
InChI=1/C8H11N3O2S2/c12-6(11-3-1-9-7(11)13)5-15-8-10-2-4-14-8/h1-5H2,(H,9,13)
InChi Info:
AuxInfo=1/1/N:1,13,2,14,9,7,4,11,6,12,3,8,5,15,10/rA:15nCCNCONCOCSCNCCS/rB:s1;s2;s3;d4;s1s4;s3;d7;s7;s9;s10;d11;s12;s13;s11s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H11N3O2S2 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.29678 |
Area: | 408.607 |
Solvation: | -2.91839 |
Coulombic: | -44.471 |
Bond Count [?]
All: | 16 |
Single: | 13 |
Double: | 3 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 245.324 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | -0.5 |
LogP (Chemaxon): | 0.21 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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