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Home > Imidazoles > 332032-81-2
332032-81-2 | Thiourea, N-[3-(1H-imidazol-1-yl)propyl]-N'-phenyl-
CAS No: 332032-81-2 Catalog No: AG007H4Z MDL No:
Product Description
Catalog Number:
AG007H4Z
Chemical Name:
Thiourea, N-[3-(1H-imidazol-1-yl)propyl]-N'-phenyl-
CAS Number:
332032-81-2
Molecular Formula:
C13H16N4S
Molecular Weight:
260.3579
IUPAC Name:
1-(3-imidazol-1-ylpropyl)-3-phenylthiourea
InChI:
InChI=1S/C13H16N4S/c18-13(16-12-5-2-1-3-6-12)15-7-4-9-17-10-8-14-11-17/h1-3,5-6,8,10-11H,4,7,9H2,(H2,15,16,18)
InChI Key:
SHTFQESPDQMQDM-UHFFFAOYSA-N
SMILES:
S=C(Nc1ccccc1)NCCCn1cncc1
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.11g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
260.359g/mol
Monoisotopic Mass:
260.11g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
74A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| The first potent inhibitors for human glutaminyl cyclase: synthesis and structure-activity relationship. | Journal of medicinal chemistry 20060126 |
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