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Chemical ID: 6833431

Chemical ID:

6833431

Name [?]:

N-[4-(4-fluorophenyl)thiazol-2-yl]pyridine-2-carboxamide

SMILES [?]:

c1ccnc(c1)C(=O)Nc2nc(cs2)c3ccc(cc3)F

InChi [?]:

InChI=1/C15H10FN3OS/c16-11-6-4-10(5-7-11)13-9-21-15(18-13)19-14(20)12-3-1-2-8-17-12/h1-9H,(H,18,19,20)

InChi Info:

AuxInfo=1/1/N:1,2,6,16,20,17,19,3,13,15,18,5,12,7,10,21,4,11,9,8,14/E:(4,5)(6,7)/rA:21nCCCNCCCONCNCCSCCCCCCF/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;d10;s11;d12;s10s13;s12;s15;d16;s17;d18;d15s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₁₀FN₃OS
All Atoms:	31
Heavy Atoms:	21
Chiral Atoms:	0

ZAP Information [?]

Total:	8.97358
Area:	482.936
Solvation:	-3.09983
Coulombic:	-38.14

Bond Count [?]

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

Chemical Properties

Molecular Weight:	299.324
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	2.83
LogP (Chemaxon):	3.67

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