Chemical ID: 7198144

Cc1c(c(sc1C(=O)N(C)C)N)C(=O)OC(C)C
Chemical ID:
7198144
Name [?]:
isopropyl 2-amino-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate
SMILES [?]:
Cc1c(c(sc1C(=O)N(C)C)N)C(=O)OC(C)C
InChi [?]:
InChI=1/C12H18N2O3S/c1-6(2)17-12(16)8-7(3)9(18-10(8)13)11(15)14(4)5/h6H,13H2,1-5H3
InChi Info:
AuxInfo=1/0/N:17,18,1,10,11,16,2,3,6,4,7,13,12,9,8,14,15,5/E:(1,2)(4,5)/rA:18nCCCCSCCONCCNCOOCCC/rB:s1;s2;d3;s4;d2s5;s6;d7;s7;s9;s9;s4;s3;d13;s13;s15;s16;s16;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H18N2O3S
All Atoms:36
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:9.11021
Area:452.641
Solvation:-2.20581
Coulombic:-53.5921
Bond Count [?]
All:18
Single:14
Double:4
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:270.349
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:1.08
LogP (Chemaxon):1.17

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue