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Chemical ID: 6179038

Chemical ID:

6179038

Name [?]:

N-[5-(m-tolyl)-1,3,4-thiadiazol-2-yl]pentanamide

SMILES [?]:

CCCCC(=O)Nc1nnc(s1)c2cccc(c2)C

InChi [?]:

InChI=1/C14H17N3OS/c1-3-4-8-12(18)15-14-17-16-13(19-14)11-7-5-6-10(2)9-11/h5-7,9H,3-4,8H2,1-2H3,(H,15,17,18)

InChi Info:

AuxInfo=1/1/N:1,19,2,3,15,16,14,4,18,17,13,5,11,8,7,10,9,6,12/rA:19nCCCCCONCNNCSCCCCCCC/rB:s1;s2;s3;s4;d5;s5;s7;d8;s9;d10;s8s11;s11;s13;d14;s15;d16;d13s17;s17;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

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

ZAP Information [?]

Total:	9.71997
Area:	497.591
Solvation:	-2.7198
Coulombic:	-25.9224

Bond Count [?]

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

Chemical Properties

Molecular Weight:	275.37
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	4.29
LogP (Chemaxon):	3.48

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