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Chemical ID: 3987902

Chemical ID:

3987902

Name [?]:

N-[2-(1-cyclohexenyl)ethyl]-2-(3-piperidyl)thiazole-4-carboxamide

SMILES [?]:

c1c(nc(s1)C2CCCNC2)C(=O)NCCC3=CCCCC3

InChi [?]:

InChI=1/C17H25N3OS/c21-16(19-10-8-13-5-2-1-3-6-13)15-12-22-17(20-15)14-7-4-9-18-11-14/h5,12,14,18H,1-4,6-11H2,(H,19,21)

InChi Info:

AuxInfo=1/1/N:20,19,21,8,18,22,7,16,9,15,11,1,17,6,2,12,4,10,14,3,13,5/rA:22cCCNCSCCCCNCCONCCCCCCCC/rB:d1;s2;d3;s1s4;s4;s6;s7;s8;s9;s6s10;s2;d12;s12;s14;s15;s16;d17;s18;s19;s20;s17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₂₅N₃OS
All Atoms:	22
Heavy Atoms:	22
Chiral Atoms:	1

ZAP Information [?]

Total:	11.9282
Area:	547.409
Solvation:	-1.75707
Coulombic:	-38.5201

Bond Count [?]

All:	24
Single:	20
Double:	4
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	319.466
H-Bond Donors:	2
H-Bond Acceptors:	3
XLogP:	2.16
LogP (Chemaxon):	1.69

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