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Chemical ID: 3891219

Chemical ID:

3891219

Name [?]:

N-ethyl-N-[4-(4-fluorophenyl)thiazol-2-yl]-propanamide

SMILES [?]:

CCC(=O)N(CC)c1nc(cs1)c2ccc(cc2)F

InChi [?]:

InChI=1/C14H15FN2OS/c1-3-13(18)17(4-2)14-16-12(9-19-14)10-5-7-11(15)8-6-10/h5-9H,3-4H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,7,2,6,14,18,15,17,11,13,16,10,3,8,19,9,5,4,12/E:(5,6)(7,8)/rA:19nCCCONCCCNCCSCCCCCCF/rB:s1;s2;d3;s3;s5;s6;s5;d8;s9;d10;s8s11;s10;s13;d14;s15;d16;d13s17;s16;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₁₅FN₂OS
All Atoms:	19
Heavy Atoms:	19
Chiral Atoms:	0

ZAP Information [?]

Total:	7.92933
Area:	456.085
Solvation:	-3.47279
Coulombic:	-25.4634

Bond Count [?]

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

Chemical Properties

Molecular Weight:	278.346
H-Bond Donors:	0
H-Bond Acceptors:	2
XLogP:	3.09
LogP (Chemaxon):	3.6

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