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Chemical ID: 4592900

Chemical ID:

4592900

Name [?]:

N-(2-dimethylaminoethyl)-N'-(4-phenylthiazol-2-yl)-oxamide

SMILES [?]:

CN(C)CCNC(=O)C(=O)Nc1nc(cs1)c2ccccc2

InChi [?]:

InChI=1/C15H18N4O2S/c1-19(2)9-8-16-13(20)14(21)18-15-17-12(10-22-15)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,16,20)(H,17,18,21)

InChi Info:

AuxInfo=1/1/N:1,3,20,19,21,18,22,5,4,15,17,14,7,9,12,6,13,11,2,8,10,16/E:(1,2)(4,5)(6,7)/rA:22nCNCCCNCOCONCNCCSCCCCCC/rB:s1;s2;s2;s4;s5;s6;d7;s7;d9;s9;s11;d12;s13;d14;s12s15;s14;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₁₈N₄O₂S
All Atoms:	22
Heavy Atoms:	22
Chiral Atoms:	0

ZAP Information [?]

Total:	10.9778
Area:	546.789
Solvation:	-2.69195
Coulombic:	-58.0268

Bond Count [?]

All:	23
Single:	16
Double:	7
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	318.395
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	1.15
LogP (Chemaxon):	1.48

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