Chemical ID: 4982082

CC(Cc1nnc(s1)N)CC(C)(C)C
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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