1-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-3-phenylthiourea

C15H14N4OS — CID 126555938

IUPAC1-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-3-phenylthiourea
SMILESS=C(N/N=C1/CCOc2cccnc21)Nc1ccccc1
InChIInChI=1S/C15H14N4OS/c21-15(17-11-5-2-1-3-6-11)19-18-12-8-10-20-13-7-4-9-16-14(12)13/h1-7,9H,8,10H2,(H2,17,19,21)/b18-12-
InChIKeyGHOHYABAOSPXJL-PDGQHHTCSA-N
MW298.37 g/mol
LogP2.55
Rot. Bonds2

About 1-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-3-phenylthiourea

1-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-3-phenylthiourea (PubChem CID 126555938) has the molecular formula C15H14N4OS and a molecular weight of 298.37 g/mol. Its IUPAC name is 1-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-3-phenylthiourea.

Molecular Properties

Compound Name1-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-3-phenylthiourea
PubChem CID126555938
Molecular FormulaC15H14N4OS
Molecular Weight298.37 g/mol
Exact Mass298.09
IUPAC Name1-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-3-phenylthiourea
SMILESS=C(N/N=C1/CCOc2cccnc21)Nc1ccccc1
InChIInChI=1S/C15H14N4OS/c21-15(17-11-5-2-1-3-6-11)19-18-12-8-10-20-13-7-4-9-16-14(12)13/h1-7,9H,8,10H2,(H2,17,19,21)/b18-12-
InChIKeyGHOHYABAOSPXJL-PDGQHHTCSA-N
XLogP2.55
TPSA58.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'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 1-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-3-phenylthiourea?
The IUPAC name of 1-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-3-phenylthiourea (CID 126555938) is 1-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-3-phenylthiourea.
What is the SMILES notation for 1-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-3-phenylthiourea?
The canonical SMILES for 1-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-3-phenylthiourea is S=C(N/N=C1/CCOc2cccnc21)Nc1ccccc1.
What is the InChIKey of 1-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-3-phenylthiourea?
The InChIKey is GHOHYABAOSPXJL-PDGQHHTCSA-N. The full InChI is InChI=1S/C15H14N4OS/c21-15(17-11-5-2-1-3-6-11)19-18-12-8-10-20-13-7-4-9-16-14(12)13/h1-7,9H,8,10H2,(H2,17,19,21)/b18-12-.
What are the key properties of 1-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-3-phenylthiourea?
1-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-3-phenylthiourea has a molecular weight of 298.37 g/mol, XLogP of 2.55, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-3-phenylthiourea is sourced from PubChem (CID 126555938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).