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Chemical ID: 5187272

Chemical ID:

5187272

Name [?]:

2-methoxy-N-[4-(4-propoxyphenyl)thiazol-2-yl]-acetamide

SMILES [?]:

CCCOc1ccc(cc1)c2csc(n2)NC(=O)COC

InChi [?]:

InChI=1/C15H18N2O3S/c1-3-8-20-12-6-4-11(5-7-12)13-10-21-15(16-13)17-14(18)9-19-2/h4-7,10H,3,8-9H2,1-2H3,(H,16,17,18)

InChi Info:

AuxInfo=1/1/N:1,21,2,7,9,6,10,3,19,12,8,5,11,17,14,15,16,18,20,4,13/E:(4,5)(6,7)/rA:21nCCCOCCCCCCCCSCNNCOCOC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;d11;s12;s13;s11d14;s14;s16;d17;s17;s19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₁₈N₂O₃S
All Atoms:	21
Heavy Atoms:	21
Chiral Atoms:	0

ZAP Information [?]

Total:	7.32185
Area:	530.025
Solvation:	-5.92876
Coulombic:	-41.2658

Bond Count [?]

All:	22
Single:	16
Double:	6
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	306.381
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	2.29
LogP (Chemaxon):	3.0

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