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Chemical ID: 6003250
Chemical ID:
6003250
Name [?]:
N-(2-dimethylaminoethyl)-N-[(4-methylthiazol-2-yl)carbamoylmethyl]butanamide
SMILES [?]:
CCCC(=O)N(CCN(C)C)CC(=O)Nc1nc(cs1)C
InChi [?]:
InChI=1/C14H24N4O2S/c1-5-6-13(20)18(8-7-17(3)4)9-12(19)16-14-15-11(2)10-21-14/h10H,5-9H2,1-4H3,(H,15,16,19)
InChi Info:
AuxInfo=1/1/N:1,21,10,11,2,3,8,7,12,19,18,13,4,16,17,15,9,6,14,5,20/E:(3,4)/rA:21nCCCCONCCNCCCCONCNCCSC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s9;s6;s12;d13;s13;s15;d16;s17;d18;s16s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H24N4O2S |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.19807 |
Area: | 543.008 |
Solvation: | -4.37711 |
Coulombic: | -44.9765 |
Bond Count [?]
All: | 21 |
Single: | 17 |
Double: | 4 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 312.432 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 0.39 |
LogP (Chemaxon): | 0.71 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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