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Chemical ID: 4119510
Chemical ID:
4119510
Name [?]:
3-(2-methylthiazol-4-yl)aniline
SMILES [?]:
Cc1nc(cs1)c2cccc(c2)N
InChi [?]:
InChI=1/C10H10N2S/c1-7-12-10(6-13-7)8-3-2-4-9(11)5-8/h2-6H,11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,9,8,10,12,5,2,7,11,4,13,3,6/rA:13nCCNCCSCCCCCCN/rB:s1;d2;s3;d4;s2s5;s4;s7;d8;s9;d10;d7s11;s11;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H10N2S |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.71477 |
Area: | 362.481 |
Solvation: | -1.34726 |
Coulombic: | -22.5162 |
Bond Count [?]
All: | 14 |
Single: | 9 |
Double: | 5 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 190.266 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 1 |
XLogP: | 1.9 |
LogP (Chemaxon): | 1.98 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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