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Chemical ID: 3988184

Chemical ID:

3988184

Name [?]:

2-(1-aminoethyl)-N-benzhydryl-thiazole-4-carboxamide

SMILES [?]:

CC(c1nc(cs1)C(=O)NC(c2ccccc2)c3ccccc3)N

InChi [?]:

InChI=1/C19H19N3OS/c1-13(20)19-21-16(12-24-19)18(23)22-17(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-13,17H,20H2,1H3,(H,22,23)

InChi Info:

AuxInfo=1/1/N:1,15,21,14,16,20,22,13,17,19,23,6,2,12,18,5,11,8,3,24,4,10,9,7/E:(2,3)(4,5,6,7)(8,9,10,11)(14,15)/rA:24cCCCNCCSCONCCCCCCCCCCCCCN/rB:s1;s2;d3;s4;d5;s3s6;s5;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s11;s18;d19;s20;d21;d18s22;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₁₉N₃OS
All Atoms:	24
Heavy Atoms:	24
Chiral Atoms:	1

ZAP Information [?]

Total:	11.7442
Area:	558.749
Solvation:	-2.22451
Coulombic:	-44.5206

Bond Count [?]

All:	26
Single:	17
Double:	9
Rotors:	6
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	337.44
H-Bond Donors:	3
H-Bond Acceptors:	3
XLogP:	2.89
LogP (Chemaxon):	3.23

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value