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Chemical ID: 3862230

Chemical ID:

3862230

Name [?]:

N-(2-methoxyethyl)-N-(4-phenylthiazol-2-yl)-acetamide

SMILES [?]:

CC(=O)N(CCOC)c1nc(cs1)c2ccccc2

InChi [?]:

InChI=1/C14H16N2O2S/c1-11(17)16(8-9-18-2)14-15-13(10-19-14)12-6-4-3-5-7-12/h3-7,10H,8-9H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,8,17,16,18,15,19,5,6,12,2,14,11,9,10,4,3,7,13/E:(4,5)(6,7)/rA:19nCCONCCOCCNCCSCCCCCC/rB:s1;d2;s2;s4;s5;s6;s7;s4;d9;s10;d11;s9s12;s11;s14;d15;s16;d17;d14s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₁₆N₂O₂S
All Atoms:	19
Heavy Atoms:	19
Chiral Atoms:	0

ZAP Information [?]

Total:	8.2157
Area:	459.082
Solvation:	-3.26135
Coulombic:	-30.501

Bond Count [?]

All:	20
Single:	14
Double:	6
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	276.355
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	2.06
LogP (Chemaxon):	2.32

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value