Chemical ID: 6325842

Cc1c(c(sc1C(=O)N)N)C(=O)OC
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

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Experimental Annotations

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Descriptor Annotations

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