ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7322267

Chemical ID:

7322267

Name [?]:

N,5-dimethyl-4-(p-tolyl)thiazol-2-amine

SMILES [?]:

Cc1ccc(cc1)c2c(sc(n2)NC)C

InChi [?]:

InChI=1/C12H14N2S/c1-8-4-6-10(7-5-8)11-9(2)15-12(13-3)14-11/h4-7H,1-3H3,(H,13,14)

InChi Info:

AuxInfo=1/1/N:1,15,14,3,7,4,6,2,9,5,8,11,13,12,10/E:(4,5)(6,7)/rA:15nCCCCCCCCCSCNNCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;s10;s8d11;s11;s13;s9;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₂H₁₄N₂S
All Atoms:	29
Heavy Atoms:	15
Chiral Atoms:	0

ZAP Information [?]

Total:	8.81671
Area:	400.723
Solvation:	-1.20136
Coulombic:	-19.693

Bond Count [?]

All:	16
Single:	11
Double:	5
Rotors:	2
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	218.319
H-Bond Donors:	1
H-Bond Acceptors:	1
XLogP:	2.79
LogP (Chemaxon):	3.43

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value