Chemical ID: 6145976

Cc1c(sc(c1C(=O)OC)NC(=O)CC2C(=O)NC(=N)S2)C
Chemical ID:
6145976
Name [?]:
methyl 2-[2-(2-imino-4-oxo-thiazolidin-5-yl)acetyl]amino-4,5-dimethyl-thiophene-3-carboxylate
SMILES [?]:
Cc1c(sc(c1C(=O)OC)NC(=O)CC2C(=O)NC(=N)S2)C
InChi [?]:
InChI=1/C13H15N3O4S2/c1-5-6(2)21-11(9(5)12(19)20-3)15-8(17)4-7-10(18)16-13(14)22-7/h7H,4H2,1-3H3,(H,15,17)(H2,14,16,18)
InChi Info:
AuxInfo=1/1/N:1,22,10,14,2,3,15,12,6,16,5,7,19,20,11,18,13,17,8,9,4,21/rA:22cCCCSCCCOOCNCOCCCONCNSC/rB:s1;d2;s3;s4;s2d5;s6;d7;s7;s9;s5;s11;d12;s12;s14;s15;d16;s16;s18;w19;s15s19;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H15N3O4S2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:1
ZAP Information [?]
Total:8.90017
Area:534.269
Solvation:-4.45656
Coulombic:-69.1488
Bond Count [?]
All:23
Single:17
Double:6
Rotors:6
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:341.408
H-Bond Donors:3
H-Bond Acceptors:7
XLogP:0.17
LogP (Chemaxon):1.53

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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