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Chemical ID: 7333380
Chemical ID:
7333380
Name [?]:
4-methyl-2-pyrrolidin-1-yl-thiazole
SMILES [?]:
Cc1csc(n1)N2CCCC2
InChi [?]:
InChI=1/C8H12N2S/c1-7-6-11-8(9-7)10-4-2-3-5-10/h6H,2-5H2,1H3
InChi Info:
AuxInfo=1/0/N:1,9,10,8,11,3,2,5,6,7,4/E:(2,3)(4,5)/rA:11nCCCSCNNCCCC/rB:s1;d2;s3;s4;s2d5;s5;s7;s8;s9;s7s10;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H12N2S |
All Atoms: | 23 |
Heavy Atoms: | 11 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.57719 |
Area: | 321.836 |
Solvation: | -1.4687 |
Coulombic: | -12.3353 |
Bond Count [?]
All: | 12 |
Single: | 10 |
Double: | 2 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 168.26 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 1.86 |
LogP (Chemaxon): | 2.07 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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