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Chemical ID: 4492017

Chemical ID:

4492017

Name [?]:

6-methyl-N-[4-(4-pyridyl)thiazol-2-yl]-pyridin-2-amine

SMILES [?]:

Cc1cccc(n1)Nc2nc(cs2)c3ccncc3

InChi [?]:

InChI=1/C14H12N4S/c1-10-3-2-4-13(16-10)18-14-17-12(9-19-14)11-5-7-15-8-6-11/h2-9H,1H3,(H,16,17,18)

InChi Info:

AuxInfo=1/1/N:1,4,3,5,15,19,16,18,12,2,14,11,6,9,17,7,10,8,13/E:(5,6)(7,8)/rA:19nCCCCCCNNCNCCSCCCNCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s10;d11;s9s12;s11;s14;d15;s16;d17;d14s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₁₂N₄S
All Atoms:	19
Heavy Atoms:	19
Chiral Atoms:	0

ZAP Information [?]

Total:	8.50585
Area:	449.396
Solvation:	-2.72905
Coulombic:	-26.4441

Bond Count [?]

All:	21
Single:	13
Double:	8
Rotors:	3
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	268.338
H-Bond Donors:	1
H-Bond Acceptors:	1
XLogP:	2.61
LogP (Chemaxon):	2.89

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