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Chemical ID: 6179087

Chemical ID:

6179087

Name [?]:

N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]propanamide

SMILES [?]:

CCC(=O)Nc1nnc(s1)c2ccc(cc2)Cl

InChi [?]:

InChI=1/C11H10ClN3OS/c1-2-9(16)13-11-15-14-10(17-11)7-3-5-8(12)6-4-7/h3-6H,2H2,1H3,(H,13,15,16)

InChi Info:

AuxInfo=1/1/N:1,2,12,16,13,15,11,14,3,9,6,17,5,8,7,4,10/E:(3,4)(5,6)/rA:17nCCCONCNNCSCCCCCCCl/rB:s1;s2;d3;s3;s5;d6;s7;d8;s6s9;s9;s11;d12;s13;d14;d11s15;s14;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₁H₁₀ClN₃OS
All Atoms:	17
Heavy Atoms:	17
Chiral Atoms:	0

ZAP Information [?]

Total:	8.65312
Area:	457.003
Solvation:	-2.77196
Coulombic:	-25.4279

Bond Count [?]

All:	18
Single:	12
Double:	6
Rotors:	4
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	267.735
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	3.34
LogP (Chemaxon):	2.73

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