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Chemical ID: 3991283

Chemical ID:

3991283

Name [?]:

4-(3,4-dimethoxyphenyl)-2-methyl-thiazole

SMILES [?]:

Cc1nc(cs1)c2ccc(c(c2)OC)OC

InChi [?]:

InChI=1/C12H13NO2S/c1-8-13-10(7-16-8)9-4-5-11(14-2)12(6-9)15-3/h4-7H,1-3H3

InChi Info:

AuxInfo=1/0/N:1,16,14,8,9,12,5,2,7,4,10,11,3,15,13,6/rA:16nCCNCCSCCCCCCOCOC/rB:s1;d2;s3;d4;s2s5;s4;s7;d8;s9;d10;d7s11;s11;s13;s10;s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₂H₁₃NO₂S
All Atoms:	16
Heavy Atoms:	16
Chiral Atoms:	0

ZAP Information [?]

Total:	5.92268
Area:	415.932
Solvation:	-4.47562
Coulombic:	-19.4357

Bond Count [?]

All:	17
Single:	12
Double:	5
Rotors:	3
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	235.303
H-Bond Donors:	0
H-Bond Acceptors:	2
XLogP:	2.28
LogP (Chemaxon):	2.26

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value