Chemical ID: 6001368

CCCCN(CC(=O)Nc1ncc(s1)C)C(=O)C2CC2
Chemical ID:
6001368
Name [?]:
N-butyl-N-[(5-methylthiazol-2-yl)carbamoylmethyl]cyclopropanecarboxamide
SMILES [?]:
CCCCN(CC(=O)Nc1ncc(s1)C)C(=O)C2CC2
InChi [?]:
InChI=1/C14H21N3O2S/c1-3-4-7-17(13(19)11-5-6-11)9-12(18)16-14-15-8-10(2)20-14/h8,11H,3-7,9H2,1-2H3,(H,15,16,18)
InChi Info:
AuxInfo=1/1/N:1,15,2,3,19,20,4,12,6,13,18,7,16,10,11,9,5,8,17,14/E:(5,6)/rA:20nCCCCNCCONCNCCSCCOCCC/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;d10;s11;d12;s10s13;s13;s5;d16;s16;s18;s18s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H21N3O2S
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.97008
Area:521.392
Solvation:-4.06473
Coulombic:-40.663
Bond Count [?]
All:21
Single:17
Double:4
Rotors:9
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:295.402
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:0.57
LogP (Chemaxon):1.69

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