Chemical ID: 5452367

Cc1c(nc(s1)C)c2ccc(cc2)Br
Chemical ID:
5452367
Name [?]:
4-(4-bromophenyl)-2,5-dimethyl-thiazole
SMILES [?]:
Cc1c(nc(s1)C)c2ccc(cc2)Br
InChi [?]:
InChI=1/C11H10BrNS/c1-7-11(13-8(2)14-7)9-3-5-10(12)6-4-9/h3-6H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,7,9,13,10,12,2,5,8,11,3,14,4,6/E:(3,4)(5,6)/rA:14nCCCNCSCCCCCCCBr/rB:s1;d2;s3;d4;s2s5;s5;s3;s8;d9;s10;d11;d8s12;s11;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H10BrNS
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:8.80157
Area:390.42
Solvation:-0.958919
Coulombic:-7.01849
Bond Count [?]
All:15
Single:10
Double:5
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:268.174
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:3.37
LogP (Chemaxon):3.55

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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