ChemicalDetail: Details for an Individual Chemical

Download

Chemical ID: 4367306

Chemical ID:

4367306

Name [?]:

N-[5-methyl-4-(p-tolyl)thiazol-2-yl]acetamide

SMILES [?]:

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

InChi [?]:

InChI=1/C13H14N2OS/c1-8-4-6-11(7-5-8)12-9(2)17-13(15-12)14-10(3)16/h4-7H,1-3H3,(H,14,15,16)

InChi Info:

AuxInfo=1/1/N:1,17,16,3,7,4,6,2,9,14,5,8,11,13,12,15,10/E:(4,5)(6,7)/rA:17nCCCCCCCCCSCNNCOCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;s10;s8d11;s11;s13;d14;s14;s9;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₃H₁₄N₂OS
All Atoms:	17
Heavy Atoms:	17
Chiral Atoms:	0

ZAP Information [?]

Total:	8.46799
Area:	430.933
Solvation:	-2.30534
Coulombic:	-26.1979

Bond Count [?]

All:	18
Single:	12
Double:	6
Rotors:	3
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	246.329
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	2.4
LogP (Chemaxon):	3.18

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value