[(Z)-(8-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]thiourea

C9H9FN4OS — CID 126555679

IUPAC[(Z)-(8-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]thiourea
SMILESNC(=S)N/N=C1/CCOc2c(F)ccnc21
InChIInChI=1S/C9H9FN4OS/c10-5-1-3-12-7-6(13-14-9(11)16)2-4-15-8(5)7/h1,3H,2,4H2,(H3,11,14,16)/b13-6-
InChIKeySCVDHACBJWWZST-MLPAPPSSSA-N
MW240.26 g/mol
LogP0.54
Rot. Bonds1

About [(Z)-(8-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]thiourea

[(Z)-(8-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]thiourea (PubChem CID 126555679) has the molecular formula C9H9FN4OS and a molecular weight of 240.26 g/mol. Its IUPAC name is [(Z)-(8-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]thiourea.

Molecular Properties

Compound Name[(Z)-(8-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]thiourea
PubChem CID126555679
Molecular FormulaC9H9FN4OS
Molecular Weight240.26 g/mol
Exact Mass240.05
IUPAC Name[(Z)-(8-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]thiourea
SMILESNC(=S)N/N=C1/CCOc2c(F)ccnc21
InChIInChI=1S/C9H9FN4OS/c10-5-1-3-12-7-6(13-14-9(11)16)2-4-15-8(5)7/h1,3H,2,4H2,(H3,11,14,16)/b13-6-
InChIKeySCVDHACBJWWZST-MLPAPPSSSA-N
XLogP0.54
TPSA72.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.54
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 [(Z)-(8-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]thiourea?
The IUPAC name of [(Z)-(8-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]thiourea (CID 126555679) is [(Z)-(8-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]thiourea.
What is the SMILES notation for [(Z)-(8-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]thiourea?
The canonical SMILES for [(Z)-(8-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]thiourea is NC(=S)N/N=C1/CCOc2c(F)ccnc21.
What is the InChIKey of [(Z)-(8-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]thiourea?
The InChIKey is SCVDHACBJWWZST-MLPAPPSSSA-N. The full InChI is InChI=1S/C9H9FN4OS/c10-5-1-3-12-7-6(13-14-9(11)16)2-4-15-8(5)7/h1,3H,2,4H2,(H3,11,14,16)/b13-6-.
What are the key properties of [(Z)-(8-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]thiourea?
[(Z)-(8-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]thiourea has a molecular weight of 240.26 g/mol, XLogP of 0.54, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-(8-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]thiourea is sourced from PubChem (CID 126555679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).