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Chemical ID: 3965505
Chemical ID:
3965505
Name [?]:
5-[2-(2-hydroxy-3-tert-butylamino-propyl)sulfanylthiazol-4-yl]thiophene-2-carboxamide
SMILES [?]:
CC(C)(C)NCC(CSc1nc(cs1)c2ccc(s2)C(=O)N)O
InChi [?]:
InChI=1/C15H21N3O2S3/c1-15(2,3)17-6-9(19)7-21-14-18-10(8-22-14)11-4-5-12(23-11)13(16)20/h4-5,8-9,17,19H,6-7H2,1-3H3,(H2,16,20)
InChi Info:
AuxInfo=1/1/N:1,3,4,16,17,6,8,13,7,12,15,18,20,10,2,22,5,11,23,21,9,14,19/E:(1,2,3)/rA:23cCCCCNCCCSCNCCSCCCCSCONO/rB:s1;s2;s2;s2;s5;s6;s7;s8;s9;d10;s11;d12;s10s13;s12;d15;s16;d17;s15s18;s18;d20;s20;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H21N3O2S3 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.9995 |
Area: | 603.633 |
Solvation: | -4.09129 |
Coulombic: | -58.1501 |
Bond Count [?]
All: | 24 |
Single: | 19 |
Double: | 5 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 371.544 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 4 |
XLogP: | 0.91 |
LogP (Chemaxon): | 1.58 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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