ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7250326

Chemical ID:

7250326

Name [?]:

N-(4,5-dimethylthiazol-2-yl)-2-(1-piperidyl)acetamide

SMILES [?]:

Cc1c(sc(n1)NC(=O)CN2CCCCC2)C

InChi [?]:

InChI=1/C12H19N3OS/c1-9-10(2)17-12(13-9)14-11(16)8-15-6-4-3-5-7-15/h3-8H2,1-2H3,(H,13,14,16)

InChi Info:

AuxInfo=1/1/N:1,17,14,13,15,12,16,10,2,3,8,5,6,7,11,9,4/E:(4,5)(6,7)/rA:17nCCCSCNNCOCNCCCCCC/rB:s1;d2;s3;s4;s2d5;s5;s7;d8;s8;s10;s11;s12;s13;s14;s11s15;s3;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₂H₁₉N₃OS
All Atoms:	36
Heavy Atoms:	17
Chiral Atoms:	0

ZAP Information [?]

Total:	7.6582
Area:	441.758
Solvation:	-3.38574
Coulombic:	-29.0959

Bond Count [?]

All:	18
Single:	15
Double:	3
Rotors:	4
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	253.365
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	0.64
LogP (Chemaxon):	1.39

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