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Chemical ID: 4520689

Chemical ID:

4520689

Name [?]:

N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide

SMILES [?]:

CCCCCc1nnc(s1)NC(=O)c2ccccc2

InChi [?]:

InChI=1/C14H17N3OS/c1-2-3-5-10-12-16-17-14(19-12)15-13(18)11-8-6-4-7-9-11/h4,6-9H,2-3,5,10H2,1H3,(H,15,17,18)

InChi Info:

AuxInfo=1/1/N:1,2,3,17,4,16,18,15,19,5,14,6,12,9,11,7,8,13,10/E:(6,7)(8,9)/rA:19nCCCCCCNNCSNCOCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;s6s9;s9;s11;d12;s12;s14;d15;s16;d17;d14s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₁₇N₃OS
All Atoms:	19
Heavy Atoms:	19
Chiral Atoms:	0

ZAP Information [?]

Total:	9.99964
Area:	499.739
Solvation:	-2.49385
Coulombic:	-27.3575

Bond Count [?]

All:	20
Single:	14
Double:	6
Rotors:	7
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	275.37
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	4.46
LogP (Chemaxon):	3.12

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