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Chemical ID: 3891222

Chemical ID:

3891222

Name [?]:

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

SMILES [?]:

CCN(c1nc(cs1)c2ccc(cc2)F)C(=O)C3CC3

InChi [?]:

InChI=1/C15H15FN2OS/c1-2-18(14(19)11-3-4-11)15-17-13(9-20-15)10-5-7-12(16)8-6-10/h5-9,11H,2-4H2,1H3

InChi Info:

AuxInfo=1/0/N:1,2,19,20,10,14,11,13,7,9,18,12,6,16,4,15,5,3,17,8/E:(3,4)(5,6)(7,8)/rA:20nCCNCNCCSCCCCCCFCOCCC/rB:s1;s2;s3;d4;s5;d6;s4s7;s6;s9;d10;s11;d12;d9s13;s12;s3;d16;s16;s18;s18s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₁₅FN₂OS
All Atoms:	20
Heavy Atoms:	20
Chiral Atoms:	0

ZAP Information [?]

Total:	8.60476
Area:	470.187
Solvation:	-3.14992
Coulombic:	-26.2513

Bond Count [?]

All:	22
Single:	16
Double:	6
Rotors:	5
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	290.357
H-Bond Donors:	0
H-Bond Acceptors:	2
XLogP:	3.04
LogP (Chemaxon):	3.65

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