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Chemical ID: 6391551

Chemical ID:

6391551

Name [?]:

N-(4,5-dimethylthiazol-2-yl)norbornane-2-carboxamide

SMILES [?]:

Cc1c(sc(n1)NC(=O)C2CC3CCC2C3)C

InChi [?]:

InChI=1/C13H18N2OS/c1-7-8(2)17-13(14-7)15-12(16)11-6-9-3-4-10(11)5-9/h9-11H,3-6H2,1-2H3,(H,14,15,16)

InChi Info:

AuxInfo=1/1/N:1,17,13,14,16,11,2,3,12,15,10,8,5,6,7,9,4/rA:17cCCCSCNNCOCCCCCCCC/rB:s1;d2;s3;s4;s2d5;s5;s7;d8;s8;s10;s11;s12;s13;s10s14;s12s15;s3;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₃H₁₈N₂OS
All Atoms:	17
Heavy Atoms:	17
Chiral Atoms:	3

ZAP Information [?]

Total:	8.23067
Area:	423.346
Solvation:	-2.35298
Coulombic:	-25.1702

Bond Count [?]

All:	19
Single:	16
Double:	3
Rotors:	3
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	250.361
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	2.27
LogP (Chemaxon):	2.44

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