ChemDB: Chemical Search
Download
Chemical ID: 6325842
Chemical ID:
6325842
Name [?]:
methyl 2-amino-5-carbamoyl-4-methyl-thiophene-3-carboxylate
SMILES [?]:
Cc1c(c(sc1C(=O)N)N)C(=O)OC
InChi [?]:
InChI=1/C8H10N2O3S/c1-3-4(8(12)13-2)7(10)14-5(3)6(9)11/h10H2,1-2H3,(H2,9,11)
InChi Info:
AuxInfo=1/1/N:1,14,2,3,6,7,4,11,9,10,8,12,13,5/rA:14nCCCCSCCONNCOOC/rB:s1;s2;d3;s4;d2s5;s6;d7;s7;s4;s3;d11;s11;s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H10N2O3S |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.99732 |
Area: | 374.917 |
Solvation: | -2.37561 |
Coulombic: | -61.5616 |
Bond Count [?]
All: | 14 |
Single: | 10 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 214.243 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 5 |
XLogP: | -0.46 |
LogP (Chemaxon): | -0.08 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|