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Chemical ID: 6218185

Chemical ID:

6218185

Name [?]:

N-(5-benzylthiazol-2-yl)thiophene-2-carboxamide

SMILES [?]:

c1ccc(cc1)Cc2cnc(s2)NC(=O)c3cccs3

InChi [?]:

InChI=1/C15H12N2OS2/c18-14(13-7-4-8-19-13)17-15-16-10-12(20-15)9-11-5-2-1-3-6-11/h1-8,10H,9H2,(H,16,17,18)

InChi Info:

AuxInfo=1/1/N:1,2,6,18,3,5,17,19,7,9,4,8,16,14,11,10,13,15,20,12/E:(2,3)(5,6)/rA:20nCCCCCCCCCNCSNCOCCCCS/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;s8s11;s11;s13;d14;s14;d16;s17;d18;s16s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₁₂N₂OS₂
All Atoms:	20
Heavy Atoms:	20
Chiral Atoms:	0

ZAP Information [?]

Total:	9.88318
Area:	499.371
Solvation:	-2.60108
Coulombic:	-28.9264

Bond Count [?]

All:	22
Single:	14
Double:	8
Rotors:	5
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	300.401
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	1.97
LogP (Chemaxon):	3.46

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