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Chemical ID: 4978247

Chemical ID:

4978247

Name [?]:

4-(4-ethoxy-3,5-dimethyl-phenyl)thiazole-2-carbaldehyde

SMILES [?]:

CCOc1c(cc(cc1C)c2csc(n2)C=O)C

InChi [?]:

InChI=1/C14H15NO2S/c1-4-17-14-9(2)5-11(6-10(14)3)12-8-18-13(7-16)15-12/h5-8H,4H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,10,18,2,8,6,16,12,9,5,7,11,14,4,15,17,3,13/E:(2,3)(5,6)(9,10)/rA:18nCCOCCCCCCCCCSCNCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s7;d11;s12;s13;s11d14;s14;d16;s5;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₁₅NO₂S
All Atoms:	18
Heavy Atoms:	18
Chiral Atoms:	0

ZAP Information [?]

Total:	8.16282
Area:	458.297
Solvation:	-3.29462
Coulombic:	-21.3353

Bond Count [?]

All:	19
Single:	13
Double:	6
Rotors:	4
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	261.34
H-Bond Donors:	0
H-Bond Acceptors:	2
XLogP:	2.94
LogP (Chemaxon):	4.05

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