ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 4766741

Chemical ID:

4766741

Name [?]:

3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)thiazol-2-yl]pyridine

SMILES [?]:

Cc1nnc(o1)c2csc(n2)c3cccnc3

InChi [?]:

InChI=1/C11H8N4OS/c1-7-14-15-10(16-7)9-6-17-11(13-9)8-3-2-4-12-5-8/h2-6H,1H3

InChi Info:

AuxInfo=1/0/N:1,14,13,15,17,8,2,12,7,5,10,16,11,3,4,6,9/rA:17nCCNNCOCCSCNCCCCNC/rB:s1;d2;s3;d4;s2s5;s5;d7;s8;s9;s7d10;s10;s12;d13;s14;d15;d12s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₁H₈N₄OS
All Atoms:	17
Heavy Atoms:	17
Chiral Atoms:	0

ZAP Information [?]

Total:	8.37941
Area:	423.04
Solvation:	-2.19659
Coulombic:	-23.8324

Bond Count [?]

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

Chemical Properties

Molecular Weight:	244.274
H-Bond Donors:	0
H-Bond Acceptors:	0
XLogP:	2.31
LogP (Chemaxon):	0.92

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

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value