Chemical ID: 6003262

Cc1csc(n1)NC(=O)CN(CCN(C)C)C(=O)CC(C)(C)C
Chemical ID:
6003262
Name [?]:
N-(2-dimethylaminoethyl)-3,3-dimethyl-N-[(4-methylthiazol-2-yl)carbamoylmethyl]butanamide
SMILES [?]:
Cc1csc(n1)NC(=O)CN(CCN(C)C)C(=O)CC(C)(C)C
InChi [?]:
InChI=1/C16H28N4O2S/c1-12-11-23-15(17-12)18-13(21)10-20(8-7-19(5)6)14(22)9-16(2,3)4/h11H,7-10H2,1-6H3,(H,17,18,21)
InChi Info:
AuxInfo=1/1/N:1,21,22,23,15,16,13,12,19,10,3,2,8,17,5,20,6,7,14,11,9,18,4/E:(2,3,4)(5,6)/rA:23nCCCSCNNCOCNCCNCCCOCCCCC/rB:s1;d2;s3;s4;s2d5;s5;s7;d8;s8;s10;s11;s12;s13;s14;s14;s11;d17;s17;s19;s20;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H28N4O2S
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.0893
Area:566.956
Solvation:-4.08455
Coulombic:-45.8979
Bond Count [?]
All:23
Single:19
Double:4
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:340.485
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:1.5
LogP (Chemaxon):1.47

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Descriptor Annotations

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