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Chemical ID: 3987958

Chemical ID:

3987958

Name [?]:

2-(1-amino-3-methyl-butyl)-N-(1-cyclohexylethyl)thiazole-4-carboxamide

SMILES [?]:

CC(C)CC(c1nc(cs1)C(=O)NC(C)C2CCCCC2)N

InChi [?]:

InChI=1/C17H29N3OS/c1-11(2)9-14(18)17-20-15(10-22-17)16(21)19-12(3)13-7-5-4-6-8-13/h10-14H,4-9,18H2,1-3H3,(H,19,21)

InChi Info:

AuxInfo=1/1/N:1,3,15,19,18,20,17,21,4,9,2,14,16,5,8,11,6,22,13,7,12,10/E:(1,2)(5,6)(7,8)/rA:22cCCCCCCNCCSCONCCCCCCCCN/rB:s1;s2;s2;s4;s5;d6;s7;d8;s6s9;s8;d11;s11;s13;s14;s14;s16;s17;s18;s19;s16s20;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₂₉N₃OS
All Atoms:	22
Heavy Atoms:	22
Chiral Atoms:	2

ZAP Information [?]

Total:	12.5203
Area:	556.866
Solvation:	-1.40138
Coulombic:	-43.1474

Bond Count [?]

All:	23
Single:	20
Double:	3
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	323.498
H-Bond Donors:	3
H-Bond Acceptors:	3
XLogP:	3.94
LogP (Chemaxon):	3.12

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value