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Chemical ID: 4785268

Chemical ID:

4785268

Name [?]:

2-phenyl-4-(2H-pyrazol-3-yl)thiazole

SMILES [?]:

c1ccc(cc1)c2nc(cs2)c3ccn[nH]3

InChi [?]:

InChI=1/C12H9N3S/c1-2-4-9(5-3-1)12-14-11(8-16-12)10-6-7-13-15-10/h1-8H,(H,13,15)

InChi Info:

AuxInfo=1/1/N:1,2,6,3,5,13,14,10,4,12,9,7,15,8,16,11/E:(2,3)(4,5)/rA:16nCCCCCCCNCCSCCCNN/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;d9;s7s10;s9;d12;s13;d14;s12s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₂H₉N₃S
All Atoms:	16
Heavy Atoms:	16
Chiral Atoms:	0

ZAP Information [?]

Total:	8.16191
Area:	407.207
Solvation:	-2.01827
Coulombic:	-16.7397

Bond Count [?]

All:	18
Single:	11
Double:	7
Rotors:	2
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	227.286
H-Bond Donors:	0
H-Bond Acceptors:	0
XLogP:	3.18
LogP (Chemaxon):	2.87

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value