Chemical ID: 3965505

CC(C)(C)NCC(CSc1nc(cs1)c2ccc(s2)C(=O)N)O
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

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