Chemical ID: 5095102

Cc1nc(cs1)c2ccc[nH]2
Chemical ID:
5095102
Name [?]:
2-methyl-4-(1H-pyrrol-2-yl)thiazole
SMILES [?]:
Cc1nc(cs1)c2ccc[nH]2
InChi [?]:
InChI=1/C8H8N2S/c1-6-10-8(5-11-6)7-3-2-4-9-7/h2-5,9H,1H3
InChi Info:
AuxInfo=1/0/N:1,9,8,10,5,2,7,4,11,3,6/rA:11nCCNCCSCCCCN/rB:s1;d2;s3;d4;s2s5;s4;d7;s8;d9;s7s10;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H8N2S
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:6.91571
Area:325.458
Solvation:-1.22075
Coulombic:-16.585
Bond Count [?]
All:12
Single:8
Double:4
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:164.229
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:1.53
LogP (Chemaxon):1.53

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue