Chemical ID: 7259023

Cc1cccc(c1)Cc2cnc(s2)N3C(=O)C(SC3=N)C
Chemical ID:
7259023
Name [?]:
2-imino-5-methyl-3-[5-(m-tolylmethyl)thiazol-2-yl]-thiazolidin-4-one
SMILES [?]:
Cc1cccc(c1)Cc2cnc(s2)N3C(=O)C(SC3=N)C
InChi [?]:
InChI=1/C15H15N3OS2/c1-9-4-3-5-11(6-9)7-12-8-17-15(21-12)18-13(19)10(2)20-14(18)16/h3-6,8,10,16H,7H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,21,4,3,5,7,8,10,2,17,6,9,15,19,12,20,11,14,16,18,13/rA:21cCCCCCCCCCCNCSNCOCSCNC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s10;d11;s9s12;s12;s14;d15;s15;s17;s14s18;w19;s17;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H15N3OS2
All Atoms:36
Heavy Atoms:21
Chiral Atoms:1
ZAP Information [?]
Total:9.55231
Area:500.566
Solvation:-2.96183
Coulombic:-34.2545
Bond Count [?]
All:23
Single:16
Double:7
Rotors:3
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:317.431
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.09
LogP (Chemaxon):3.69

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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