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Chemical ID: 5567910

Chemical ID:

5567910

Name [?]:

3-acetamido-N-[4-(4-methoxyphenyl)thiazol-2-yl]-propanamide

SMILES [?]:

CC(=O)NCCC(=O)Nc1nc(cs1)c2ccc(cc2)OC

InChi [?]:

InChI=1/C15H17N3O3S/c1-10(19)16-8-7-14(20)18-15-17-13(9-22-15)11-3-5-12(21-2)6-4-11/h3-6,9H,7-8H2,1-2H3,(H,16,19)(H,17,18,20)

InChi Info:

AuxInfo=1/1/N:1,22,16,20,17,19,6,5,13,2,15,18,12,7,10,4,11,9,3,8,21,14/E:(3,4)(5,6)/rA:22nCCONCCCONCNCCSCCCCCCOC/rB:s1;d2;s2;s4;s5;s6;d7;s7;s9;d10;s11;d12;s10s13;s12;s15;d16;s17;d18;d15s19;s18;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₁₇N₃O₃S
All Atoms:	22
Heavy Atoms:	22
Chiral Atoms:	0

ZAP Information [?]

Total:	8.184
Area:	540.038
Solvation:	-5.31694
Coulombic:	-51.5196

Bond Count [?]

All:	23
Single:	16
Double:	7
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	319.38
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	1.36
LogP (Chemaxon):	1.57

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value