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Chemical ID: 6007453

Chemical ID:

6007453

Name [?]:

N-[(5-methylthiazol-2-yl)carbamoylmethyl]-N-pentyl-cyclopropanecarboxamide

SMILES [?]:

CCCCCN(CC(=O)Nc1ncc(s1)C)C(=O)C2CC2

InChi [?]:

InChI=1/C15H23N3O2S/c1-3-4-5-8-18(14(20)12-6-7-12)10-13(19)17-15-16-9-11(2)21-15/h9,12H,3-8,10H2,1-2H3,(H,16,17,19)

InChi Info:

AuxInfo=1/1/N:1,16,2,3,4,20,21,5,13,7,14,19,8,17,11,12,10,6,9,18,15/E:(6,7)/rA:21nCCCCCNCCONCNCCSCCOCCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;s10;d11;s12;d13;s11s14;s14;s6;d17;s17;s19;s19s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₂₃N₃O₂S
All Atoms:	21
Heavy Atoms:	21
Chiral Atoms:	0

ZAP Information [?]

Total:	9.63745
Area:	547.005
Solvation:	-4.03767
Coulombic:	-40.9678

Bond Count [?]

All:	22
Single:	18
Double:	4
Rotors:	10
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	309.428
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	1.14
LogP (Chemaxon):	2.09

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