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Chemical ID: 6003187
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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