Chemical ID: 5391387

Cc1csc(n1)SCC(=O)Nc2ccc(cc2)I
Chemical ID:
5391387
Name [?]:
N-(4-iodophenyl)-2-(4-methylthiazol-2-yl)sulfanyl-acetamide
SMILES [?]:
Cc1csc(n1)SCC(=O)Nc2ccc(cc2)I
InChi [?]:
InChI=1/C12H11IN2OS2/c1-8-6-17-12(14-8)18-7-11(16)15-10-4-2-9(13)3-5-10/h2-6H,7H2,1H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,14,16,13,17,3,8,2,15,12,9,5,18,6,11,10,4,7/E:(2,3)(4,5)/rA:18nCCCSCNSCCONCCCCCCI/rB:s1;d2;s3;s4;s2d5;s5;s7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s15;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H11IN2OS2
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:9.75483
Area:501.215
Solvation:-2.77555
Coulombic:-25.7925
Bond Count [?]
All:19
Single:13
Double:6
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:390.265
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.06
LogP (Chemaxon):3.88

Name Annotations

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Descriptor Annotations

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