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Chemical ID: 6007451

Chemical ID:

6007451

Name [?]:

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

SMILES [?]:

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

InChi [?]:

InChI=1/C13H21N3O2S/c1-4-5-6-7-16(11(3)17)9-12(18)15-13-14-8-10(2)19-13/h8H,4-7,9H2,1-3H3,(H,14,15,18)

InChi Info:

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

Chemical Details

Atom Count

Formula:	C₁₃H₂₁N₃O₂S
All Atoms:	19
Heavy Atoms:	19
Chiral Atoms:	0

ZAP Information [?]

Total:	8.41787
Area:	510.254
Solvation:	-4.33848
Coulombic:	-39.6254

Bond Count [?]

All:	19
Single:	15
Double:	4
Rotors:	9
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	283.391
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	0.93
LogP (Chemaxon):	1.4

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