azane;1-methyl-4-[4-[4-(methylamino)-1,2,5-thiadiazole-3-carbonyl]piperazin-1-yl]-2-oxoquinoline-3-carbonitrile

C19H22N8O2S — CID 162314700

IUPACazane;1-methyl-4-[4-[4-(methylamino)-1,2,5-thiadiazole-3-carbonyl]piperazin-1-yl]-2-oxoquinoline-3-carbonitrile
SMILESCNc1nsnc1C(=O)N1CCN(c2c(C#N)c(=O)n(C)c3ccccc23)CC1.N
InChIInChI=1S/C19H19N7O2S.H3N/c1-21-17-15(22-29-23-17)19(28)26-9-7-25(8-10-26)16-12-5-3-4-6-14(12)24(2)18(27)13(16)11-20;/h3-6H,7-10H2,1-2H3,(H,21,23);1H3
InChIKeyZIEHJGIZZMOSIM-UHFFFAOYSA-N
MW426.51 g/mol
LogP1.43
Rot. Bonds3

About azane;1-methyl-4-[4-[4-(methylamino)-1,2,5-thiadiazole-3-carbonyl]piperazin-1-yl]-2-oxoquinoline-3-carbonitrile

azane;1-methyl-4-[4-[4-(methylamino)-1,2,5-thiadiazole-3-carbonyl]piperazin-1-yl]-2-oxoquinoline-3-carbonitrile (PubChem CID 162314700) has the molecular formula C19H22N8O2S and a molecular weight of 426.51 g/mol. Its IUPAC name is azane;1-methyl-4-[4-[4-(methylamino)-1,2,5-thiadiazole-3-carbonyl]piperazin-1-yl]-2-oxoquinoline-3-carbonitrile.

Molecular Properties

Compound Nameazane;1-methyl-4-[4-[4-(methylamino)-1,2,5-thiadiazole-3-carbonyl]piperazin-1-yl]-2-oxoquinoline-3-carbonitrile
PubChem CID162314700
Molecular FormulaC19H22N8O2S
Molecular Weight426.51 g/mol
Exact Mass426.16
IUPAC Nameazane;1-methyl-4-[4-[4-(methylamino)-1,2,5-thiadiazole-3-carbonyl]piperazin-1-yl]-2-oxoquinoline-3-carbonitrile
SMILESCNc1nsnc1C(=O)N1CCN(c2c(C#N)c(=O)n(C)c3ccccc23)CC1.N
InChIInChI=1S/C19H19N7O2S.H3N/c1-21-17-15(22-29-23-17)19(28)26-9-7-25(8-10-26)16-12-5-3-4-6-14(12)24(2)18(27)13(16)11-20;/h3-6H,7-10H2,1-2H3,(H,21,23);1H3
InChIKeyZIEHJGIZZMOSIM-UHFFFAOYSA-N
XLogP1.43
TPSA142.15 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.51
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of azane;1-methyl-4-[4-[4-(methylamino)-1,2,5-thiadiazole-3-carbonyl]piperazin-1-yl]-2-oxoquinoline-3-carbonitrile?
The IUPAC name of azane;1-methyl-4-[4-[4-(methylamino)-1,2,5-thiadiazole-3-carbonyl]piperazin-1-yl]-2-oxoquinoline-3-carbonitrile (CID 162314700) is azane;1-methyl-4-[4-[4-(methylamino)-1,2,5-thiadiazole-3-carbonyl]piperazin-1-yl]-2-oxoquinoline-3-carbonitrile.
What is the SMILES notation for azane;1-methyl-4-[4-[4-(methylamino)-1,2,5-thiadiazole-3-carbonyl]piperazin-1-yl]-2-oxoquinoline-3-carbonitrile?
The canonical SMILES for azane;1-methyl-4-[4-[4-(methylamino)-1,2,5-thiadiazole-3-carbonyl]piperazin-1-yl]-2-oxoquinoline-3-carbonitrile is CNc1nsnc1C(=O)N1CCN(c2c(C#N)c(=O)n(C)c3ccccc23)CC1.N.
What is the InChIKey of azane;1-methyl-4-[4-[4-(methylamino)-1,2,5-thiadiazole-3-carbonyl]piperazin-1-yl]-2-oxoquinoline-3-carbonitrile?
The InChIKey is ZIEHJGIZZMOSIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O2S.H3N/c1-21-17-15(22-29-23-17)19(28)26-9-7-25(8-10-26)16-12-5-3-4-6-14(12)24(2)18(27)13(16)11-20;/h3-6H,7-10H2,1-2H3,(H,21,23);1H3.
What are the key properties of azane;1-methyl-4-[4-[4-(methylamino)-1,2,5-thiadiazole-3-carbonyl]piperazin-1-yl]-2-oxoquinoline-3-carbonitrile?
azane;1-methyl-4-[4-[4-(methylamino)-1,2,5-thiadiazole-3-carbonyl]piperazin-1-yl]-2-oxoquinoline-3-carbonitrile has a molecular weight of 426.51 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for azane;1-methyl-4-[4-[4-(methylamino)-1,2,5-thiadiazole-3-carbonyl]piperazin-1-yl]-2-oxoquinoline-3-carbonitrile is sourced from PubChem (CID 162314700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).