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Chemical ID: 6300420

Chemical ID:

6300420

Name [?]:

5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-ethyl-1,3,4-thiadiazol-2-amine

SMILES [?]:

CCNc1nnc(s1)Cn2c(cc(n2)C)C

InChi [?]:

InChI=1/C10H15N5S/c1-4-11-10-13-12-9(16-10)6-15-8(3)5-7(2)14-15/h5H,4,6H2,1-3H3,(H,11,13)

InChi Info:

AuxInfo=1/1/N:1,15,16,2,12,9,13,11,7,4,3,6,5,14,10,8/rA:16nCCNCNNCSCNCCCNCC/rB:s1;s2;s3;d4;s5;d6;s4s7;s7;s9;s10;d11;s12;s10d13;s13;s11;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₀H₁₅N₅S
All Atoms:	16
Heavy Atoms:	16
Chiral Atoms:	0

ZAP Information [?]

Total:	8.72737
Area:	437.719
Solvation:	-2.2156
Coulombic:	-20.0483

Bond Count [?]

All:	17
Single:	13
Double:	4
Rotors:	4
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	237.326
H-Bond Donors:	1
H-Bond Acceptors:	1
XLogP:	2.04
LogP (Chemaxon):	0.38

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value