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Home > Pyridines > 1914971-16-6
1914971-16-6 | N-(4,6-dimethyl-2-pyridinyl)-4-(4-pyridinyl)-1-piperazinecarbothioamide
CAS No: 1914971-16-6 Catalog No: AG01EPIN MDL No:
Product Description
Catalog Number:
AG01EPIN
Chemical Name:
N-(4,6-dimethyl-2-pyridinyl)-4-(4-pyridinyl)-1-piperazinecarbothioamide
CAS Number:
1914971-16-6
Molecular Formula:
C17H21N5S
Molecular Weight:
327.4471
IUPAC Name:
N-(4,6-dimethylpyridin-2-yl)-4-pyridin-4-ylpiperazine-1-carbothioamide
InChI:
InChI=1S/C17H21N5S/c1-13-11-14(2)19-16(12-13)20-17(23)22-9-7-21(8-10-22)15-3-5-18-6-4-15/h3-6,11-12H,7-10H2,1-2H3,(H,19,20,23)
InChI Key:
ITLPIAAGIQAGRA-UHFFFAOYSA-N
SMILES:
Cc1cc(nc(c1)C)NC(=S)N1CCN(CC1)c1ccncc1
Properties
Complexity:
390
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.152g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
327.45g/mol
Monoisotopic Mass:
327.152g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
76.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
| 4'-phosphopantetheine transfer in primary and secondary metabolism of Bacillus subtilis. | The Journal of biological chemistry 20011005 |
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