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Chemical ID: 3961352

Chemical ID:

3961352

Name [?]:

N-butyl-N-[5-(o-tolyl)-1,3,4-thiadiazol-2-yl]-acetamide

SMILES [?]:

CCCCN(c1nnc(s1)c2ccccc2C)C(=O)C

InChi [?]:

InChI=1/C15H19N3OS/c1-4-5-10-18(12(3)19)15-17-16-14(20-15)13-9-7-6-8-11(13)2/h6-9H,4-5,10H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,17,20,2,3,14,13,15,12,4,16,18,11,9,6,8,7,5,19,10/rA:20nCCCCNCNNCSCCCCCCCCOC/rB:s1;s2;s3;s4;s5;d6;s7;d8;s6s9;s9;s11;d12;s13;d14;d11s15;s16;s5;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₁₉N₃OS
All Atoms:	20
Heavy Atoms:	20
Chiral Atoms:	0

ZAP Information [?]

Total:	10.3815
Area:	495.939
Solvation:	-2.01697
Coulombic:	-22.6122

Bond Count [?]

All:	21
Single:	15
Double:	6
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	289.397
H-Bond Donors:	0
H-Bond Acceptors:	2
XLogP:	4.39
LogP (Chemaxon):	3.03

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