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Chemical ID: 6001483

Chemical ID:

6001483

Name [?]:

2-(isopropyl-(tert-butylcarbamoyl)amino)-N-(5-methylthiazol-2-yl)-acetamide

SMILES [?]:

Cc1cnc(s1)NC(=O)CN(C(C)C)C(=O)NC(C)(C)C

InChi [?]:

InChI=1/C14H24N4O2S/c1-9(2)18(13(20)17-14(4,5)6)8-11(19)16-12-15-7-10(3)21-12/h7,9H,8H2,1-6H3,(H,17,20)(H,15,16,19)

InChi Info:

AuxInfo=1/1/N:13,14,1,19,20,21,3,10,12,2,8,5,15,18,4,7,17,11,9,16,6/E:(1,2)(4,5,6)/rA:21nCCCNCSNCOCNCCCCONCCCC/rB:s1;d2;s3;d4;s2s5;s5;s7;d8;s8;s10;s11;s12;s12;s11;d15;s15;s17;s18;s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₂₄N₄O₂S
All Atoms:	21
Heavy Atoms:	21
Chiral Atoms:	0

ZAP Information [?]

Total:	9.29583
Area:	524.166
Solvation:	-3.80833
Coulombic:	-54.6144

Bond Count [?]

All:	21
Single:	17
Double:	4
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	312.432
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	0.84
LogP (Chemaxon):	1.36

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