N'-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-4-phenylpiperazine-1-carbothiohydrazide

C19H23N5OS — CID 145256073

IUPACN'-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-4-phenylpiperazine-1-carbothiohydrazide
SMILESS=C(NNC1CCOc2cccnc21)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H23N5OS/c26-19(22-21-16-8-14-25-17-7-4-9-20-18(16)17)24-12-10-23(11-13-24)15-5-2-1-3-6-15/h1-7,9,16,21H,8,10-14H2,(H,22,26)
InChIKeySADDPDYEFQDQFZ-UHFFFAOYSA-N
MW369.49 g/mol
LogP2.11
Rot. Bonds3

About N'-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-4-phenylpiperazine-1-carbothiohydrazide

N'-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-4-phenylpiperazine-1-carbothiohydrazide (PubChem CID 145256073) has the molecular formula C19H23N5OS and a molecular weight of 369.49 g/mol. Its IUPAC name is N'-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-4-phenylpiperazine-1-carbothiohydrazide.

Molecular Properties

Compound NameN'-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-4-phenylpiperazine-1-carbothiohydrazide
PubChem CID145256073
Molecular FormulaC19H23N5OS
Molecular Weight369.49 g/mol
Exact Mass369.16
IUPAC NameN'-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-4-phenylpiperazine-1-carbothiohydrazide
SMILESS=C(NNC1CCOc2cccnc21)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H23N5OS/c26-19(22-21-16-8-14-25-17-7-4-9-20-18(16)17)24-12-10-23(11-13-24)15-5-2-1-3-6-15/h1-7,9,16,21H,8,10-14H2,(H,22,26)
InChIKeySADDPDYEFQDQFZ-UHFFFAOYSA-N
XLogP2.11
TPSA52.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-4-phenylpiperazine-1-carbothiohydrazide?
The IUPAC name of N'-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-4-phenylpiperazine-1-carbothiohydrazide (CID 145256073) is N'-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-4-phenylpiperazine-1-carbothiohydrazide.
What is the SMILES notation for N'-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-4-phenylpiperazine-1-carbothiohydrazide?
The canonical SMILES for N'-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-4-phenylpiperazine-1-carbothiohydrazide is S=C(NNC1CCOc2cccnc21)N1CCN(c2ccccc2)CC1.
What is the InChIKey of N'-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-4-phenylpiperazine-1-carbothiohydrazide?
The InChIKey is SADDPDYEFQDQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5OS/c26-19(22-21-16-8-14-25-17-7-4-9-20-18(16)17)24-12-10-23(11-13-24)15-5-2-1-3-6-15/h1-7,9,16,21H,8,10-14H2,(H,22,26).
What are the key properties of N'-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-4-phenylpiperazine-1-carbothiohydrazide?
N'-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-4-phenylpiperazine-1-carbothiohydrazide has a molecular weight of 369.49 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-4-phenylpiperazine-1-carbothiohydrazide is sourced from PubChem (CID 145256073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).