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Chemical ID: 4982082
Chemical ID:
4982082
Name [?]:
5-(2,4,4-trimethylpentyl)-1,3,4-thiadiazol-2-amine
SMILES [?]:
CC(Cc1nnc(s1)N)CC(C)(C)C
InChi [?]:
InChI=1/C10H19N3S/c1-7(6-10(2,3)4)5-8-12-13-9(11)14-8/h7H,5-6H2,1-4H3,(H2,11,13)
InChi Info:
AuxInfo=1/1/N:1,12,13,14,3,10,2,4,7,11,9,5,6,8/E:(2,3,4)/rA:14cCCCCNNCSNCCCCC/rB:s1;s2;s3;d4;s5;d6;s4s7;s7;s2;s10;s11;s11;s11;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H19N3S |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.9906 |
Area: | 398.06 |
Solvation: | -0.96089 |
Coulombic: | -22.8048 |
Bond Count [?]
All: | 14 |
Single: | 12 |
Double: | 2 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 213.344 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 1 |
XLogP: | 4.3 |
LogP (Chemaxon): | 2.38 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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