Chemical ID: 6003187

Cc1csc(n1)NC(=O)CN(CCC(C)C)C(=O)C(C)(C)C
Chemical ID:
6003187
Name [?]:
N-isopentyl-2,2-dimethyl-N-[(4-methylthiazol-2-yl)carbamoylmethyl]propanamide
SMILES [?]:
Cc1csc(n1)NC(=O)CN(CCC(C)C)C(=O)C(C)(C)C
InChi [?]:
InChI=1/C16H27N3O2S/c1-11(2)7-8-19(14(21)16(4,5)6)9-13(20)18-15-17-12(3)10-22-15/h10-11H,7-9H2,1-6H3,(H,17,18,20)
InChi Info:
AuxInfo=1/1/N:15,16,1,20,21,22,13,12,10,3,14,2,8,17,5,19,6,7,11,9,18,4/E:(1,2)(4,5,6)/rA:22nCCCSCNNCOCNCCCCCCOCCCC/rB:s1;d2;s3;s4;s2d5;s5;s7;d8;s8;s10;s11;s12;s13;s14;s14;s11;d17;s17;s19;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H27N3O2S
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.7854
Area:541.133
Solvation:-3.74292
Coulombic:-41.8764
Bond Count [?]
All:22
Single:18
Double:4
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:325.471
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.32
LogP (Chemaxon):3.37

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