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Chemical ID: 6216264

Chemical ID:

6216264

Name [?]:

N-[4-(4-chlorophenyl)thiazol-2-yl]pentanamide

SMILES [?]:

CCCCC(=O)Nc1nc(cs1)c2ccc(cc2)Cl

InChi [?]:

InChI=1/C14H15ClN2OS/c1-2-3-4-13(18)17-14-16-12(9-19-14)10-5-7-11(15)8-6-10/h5-9H,2-4H2,1H3,(H,16,17,18)

InChi Info:

AuxInfo=1/1/N:1,2,3,4,14,18,15,17,11,13,16,10,5,8,19,9,7,6,12/E:(5,6)(7,8)/rA:19nCCCCCONCNCCSCCCCCCCl/rB:s1;s2;s3;s4;d5;s5;s7;d8;s9;d10;s8s11;s10;s13;d14;s15;d16;d13s17;s16;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₁₅ClN₂OS
All Atoms:	19
Heavy Atoms:	19
Chiral Atoms:	0

ZAP Information [?]

Total:	10.3453
Area:	507.008
Solvation:	-2.32993
Coulombic:	-27.6173

Bond Count [?]

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

Chemical Properties

Molecular Weight:	294.8
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	4.12
LogP (Chemaxon):	4.65

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