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Chemical ID: 5415970
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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