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Chemical ID: 3890972

Chemical ID:

3890972

Name [?]:

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

SMILES [?]:

CCN(c1nc(cs1)c2ccc(cc2)C)C(=O)C

InChi [?]:

InChI=1/C14H16N2OS/c1-4-16(11(3)17)14-15-13(9-18-14)12-7-5-10(2)6-8-12/h5-9H,4H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,15,18,2,11,13,10,14,7,12,16,9,6,4,5,3,17,8/E:(5,6)(7,8)/rA:18nCCNCNCCSCCCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;s4s7;s6;s9;d10;s11;d12;d9s13;s12;s3;d16;s16;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₁₆N₂OS
All Atoms:	18
Heavy Atoms:	18
Chiral Atoms:	0

ZAP Information [?]

Total:	8.39675
Area:	447.803
Solvation:	-2.79832
Coulombic:	-21.612

Bond Count [?]

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

Chemical Properties

Molecular Weight:	260.356
H-Bond Donors:	0
H-Bond Acceptors:	2
XLogP:	3.11
LogP (Chemaxon):	3.29

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value