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Home > Pyridines > 181305-52-2
181305-52-2 | Thiourea, N-(5-cyano-2-pyridinyl)-N'-[2-(1-methyl-1H-pyrrol-2-yl)ethyl]-
CAS No: 181305-52-2 Catalog No: AG0022SW MDL No:
Product Description
Catalog Number:
AG0022SW
Chemical Name:
Thiourea, N-(5-cyano-2-pyridinyl)-N'-[2-(1-methyl-1H-pyrrol-2-yl)ethyl]-
CAS Number:
181305-52-2
Molecular Formula:
C14H15N5S
Molecular Weight:
285.3674
IUPAC Name:
1-(5-cyanopyridin-2-yl)-3-[2-(1-methylpyrrol-2-yl)ethyl]thiourea
InChI:
InChI=1S/C14H15N5S/c1-19-8-2-3-12(19)6-7-16-14(20)18-13-5-4-11(9-15)10-17-13/h2-5,8,10H,6-7H2,1H3,(H2,16,17,18,20)
InChI Key:
ZHALZSRGISCBSZ-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(nc1)NC(=S)NCCc1cccn1C
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.105g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
285.369g/mol
Monoisotopic Mass:
285.105g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
97.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
Literature
| Title | Journal |
|---|---|
| Phenethylthiazolylthiourea (PETT) compounds as a new class of HIV-1 reverse transcriptase inhibitors. 2. Synthesis and further structure-activity relationship studies of PETT analogs. | Journal of medicinal chemistry 19961011 |
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