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Chemical ID: 4723463

Chemical ID:

4723463

Name [?]:

2-[5-(5-methylisoxazol-4-yl)thiazol-2-yl]pyridine

SMILES [?]:

Cc1c(cno1)c2cnc(s2)c3ccccn3

InChi [?]:

InChI=1/C12H9N3OS/c1-8-9(6-15-16-8)11-7-14-12(17-11)10-4-2-3-5-13-10/h2-7H,1H3

InChi Info:

AuxInfo=1/0/N:1,14,15,13,16,4,8,2,3,12,7,10,17,9,5,6,11/rA:17nCCCCNOCCNCSCCCCCN/rB:s1;d2;s3;d4;s2s5;s3;d7;s8;d9;s7s10;s10;s12;d13;s14;d15;d12s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₂H₉N₃OS
All Atoms:	17
Heavy Atoms:	17
Chiral Atoms:	0

ZAP Information [?]

Total:	7.54622
Area:	421.438
Solvation:	-2.98973
Coulombic:	-13.4381

Bond Count [?]

All:	19
Single:	12
Double:	7
Rotors:	2
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	243.285
H-Bond Donors:	0
H-Bond Acceptors:	0
XLogP:	1.37
LogP (Chemaxon):	1.73

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