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Chemical ID: 6835842

Chemical ID:

6835842

Name [?]:

N-[4-(4-isopropoxyphenyl)thiazol-2-yl]butanamide

SMILES [?]:

CCCC(=O)Nc1nc(cs1)c2ccc(cc2)OC(C)C

InChi [?]:

InChI=1/C16H20N2O2S/c1-4-5-15(19)18-16-17-14(10-21-16)12-6-8-13(9-7-12)20-11(2)3/h6-11H,4-5H2,1-3H3,(H,17,18,19)

InChi Info:

AuxInfo=1/1/N:1,20,21,2,3,13,17,14,16,10,19,12,15,9,4,7,8,6,5,18,11/E:(2,3)(6,7)(8,9)/rA:21nCCCCONCNCCSCCCCCCOCCC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;s7s10;s9;s12;d13;s14;d15;d12s16;s15;s18;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₂₀N₂O₂S
All Atoms:	41
Heavy Atoms:	21
Chiral Atoms:	0

ZAP Information [?]

Total:	9.81359
Area:	528.157
Solvation:	-3.39034
Coulombic:	-34.0664

Bond Count [?]

All:	22
Single:	16
Double:	6
Rotors:	7
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	304.408
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	3.73
LogP (Chemaxon):	4.24

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