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149485-81-4 | Thiourea, N-[2-(4-hydroxyphenyl)ethyl]-N'-2-thiazolyl-
CAS No: 149485-81-4 Catalog No: AG001LR4 MDL No:
Product Description
Catalog Number:
AG001LR4
Chemical Name:
Thiourea, N-[2-(4-hydroxyphenyl)ethyl]-N'-2-thiazolyl-
CAS Number:
149485-81-4
Molecular Formula:
C12H13N3OS2
Molecular Weight:
279.3811
IUPAC Name:
1-[2-(4-hydroxyphenyl)ethyl]-3-(1,3-thiazol-2-yl)thiourea
InChI:
InChI=1S/C12H13N3OS2/c16-10-3-1-9(2-4-10)5-6-13-11(17)15-12-14-7-8-18-12/h1-4,7-8,16H,5-6H2,(H2,13,14,15,17)
InChI Key:
UJKOTIRUWXKVLY-UHFFFAOYSA-N
SMILES:
S=C(Nc1nccs1)NCCc1ccc(cc1)O
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.05g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
279.376g/mol
Monoisotopic Mass:
279.05g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Literature
| Title | Journal |
|---|---|
| Anti-HIV activity of aromatic and heterocyclic thiazolyl thiourea compounds. | Bioorganic & medicinal chemistry letters 20010226 |
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