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Chemical ID: 4231106

Chemical ID:

4231106

Name [?]:

N-[4-(2-methylthiazol-4-yl)phenyl]pyridine-3-carboxamide

SMILES [?]:

Cc1nc(cs1)c2ccc(cc2)NC(=O)c3cccnc3

InChi [?]:

InChI=1/C16H13N3OS/c1-11-18-15(10-21-11)12-4-6-14(7-5-12)19-16(20)13-3-2-8-17-9-13/h2-10H,1H3,(H,19,20)

InChi Info:

AuxInfo=1/1/N:1,18,17,8,12,9,11,19,21,5,2,7,16,10,4,14,20,3,13,15,6/E:(4,5)(6,7)/rA:21nCCNCCSCCCCCCNCOCCCCNC/rB:s1;d2;s3;d4;s2s5;s4;s7;d8;s9;d10;d7s11;s10;s13;d14;s14;s16;d17;s18;d19;d16s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₁₃N₃OS
All Atoms:	21
Heavy Atoms:	21
Chiral Atoms:	0

ZAP Information [?]

Total:	9.6719
Area:	499.673
Solvation:	-2.81992
Coulombic:	-31.2904

Bond Count [?]

All:	23
Single:	14
Double:	9
Rotors:	4
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	295.36
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	2.44
LogP (Chemaxon):	2.51

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value