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Chemical ID: 4673578
Chemical ID:
4673578
Name [?]:
N-(5-acetyl-4-methyl-thiazol-2-yl)acetamide
SMILES [?]:
Cc1c(sc(n1)NC(=O)C)C(=O)C
InChi [?]:
InChI=1/C8H10N2O2S/c1-4-7(5(2)11)13-8(9-4)10-6(3)12/h1-3H3,(H,9,10,12)
InChi Info:
AuxInfo=1/1/N:1,13,10,2,11,8,3,5,6,7,12,9,4/rA:13nCCCSCNNCOCCOC/rB:s1;d2;s3;s4;s2d5;s5;s7;d8;s8;s3;d11;s11;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H10N2O2S |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.57151 |
Area: | 360.444 |
Solvation: | -3.43958 |
Coulombic: | -30.2744 |
Bond Count [?]
All: | 13 |
Single: | 9 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 198.243 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | -0.17 |
LogP (Chemaxon): | -0.14 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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