Chemical ID: 5415970

c1ccc(cc1)c2csc(n2)SCC(=O)Nc3ncccn3
Chemical ID:
5415970
Name [?]:
2-(4-phenylthiazol-2-yl)sulfanyl-N-pyrimidin-2-yl-acetamide
SMILES [?]:
c1ccc(cc1)c2csc(n2)SCC(=O)Nc3ncccn3
InChi [?]:
InChI=1/C15H12N4OS2/c20-13(19-14-16-7-4-8-17-14)10-22-15-18-12(9-21-15)11-5-2-1-3-6-11/h1-9H,10H2,(H,16,17,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,6,20,3,5,19,21,8,13,4,7,14,17,10,18,22,11,16,15,9,12/E:(2,3)(5,6)(7,8)(16,17)/rA:22nCCCCCCCCSCNSCCONCNCCCN/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;s9;s7d10;s10;s12;s13;d14;s14;s16;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H12N4OS2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.18268
Area:534.96
Solvation:-4.19132
Coulombic:-36.8266
Bond Count [?]
All:24
Single:15
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:328.414
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.14
LogP (Chemaxon):3.35

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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