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Chemical ID: 4457151

Chemical ID:

4457151

Name [?]:

2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-thiazol-2-yl-acetamide

SMILES [?]:

c1csc(n1)NC(=O)CSc2[nH]c(=O)cc(n2)N

InChi [?]:

InChI=1/C9H9N5O2S2/c10-5-3-6(15)13-9(12-5)18-4-7(16)14-8-11-1-2-17-8/h1-3H,4H2,(H,11,14,16)(H3,10,12,13,15)

InChi Info:

AuxInfo=1/1/N:1,2,15,9,16,13,7,4,11,18,5,17,12,6,14,8,3,10/rA:18nCCSCNNCOCSCNCOCCNN/rB:d1;s2;s3;s1d4;s4;s6;d7;s7;s9;s10;s11;s12;d13;s13;d15;d11s16;s16;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₉H₉N₅O₂S₂
All Atoms:	18
Heavy Atoms:	18
Chiral Atoms:	0

ZAP Information [?]

Total:	7.26187
Area:	465.719
Solvation:	-4.38109
Coulombic:	-65.4958

Bond Count [?]

All:	19
Single:	13
Double:	6
Rotors:	5
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	283.332
H-Bond Donors:	3
H-Bond Acceptors:	4
XLogP:	-1.51
LogP (Chemaxon):	0.74

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