5-(4-chlorophenyl)-3-[(Z)-(3-fluorophenyl)methylideneamino]thieno[2,3-d]pyrimidin-4-one

C19H11ClFN3OS — CID 6045430

IUPAC5-(4-chlorophenyl)-3-[(Z)-(3-fluorophenyl)methylideneamino]thieno[2,3-d]pyrimidin-4-one
SMILESO=c1c2c(-c3ccc(Cl)cc3)csc2ncn1/N=C\c1cccc(F)c1
InChIInChI=1S/C19H11ClFN3OS/c20-14-6-4-13(5-7-14)16-10-26-18-17(16)19(25)24(11-22-18)23-9-12-2-1-3-15(21)8-12/h1-11H/b23-9-
InChIKeyAWXAPVTYCBWJNS-AQHIEDMUSA-N
MW383.84 g/mol
LogP4.80
Rot. Bonds3

About 5-(4-chlorophenyl)-3-[(Z)-(3-fluorophenyl)methylideneamino]thieno[2,3-d]pyrimidin-4-one

5-(4-chlorophenyl)-3-[(Z)-(3-fluorophenyl)methylideneamino]thieno[2,3-d]pyrimidin-4-one (PubChem CID 6045430) has the molecular formula C19H11ClFN3OS and a molecular weight of 383.84 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-[(Z)-(3-fluorophenyl)methylideneamino]thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3-[(Z)-(3-fluorophenyl)methylideneamino]thieno[2,3-d]pyrimidin-4-one
PubChem CID6045430
Molecular FormulaC19H11ClFN3OS
Molecular Weight383.84 g/mol
Exact Mass383.03
IUPAC Name5-(4-chlorophenyl)-3-[(Z)-(3-fluorophenyl)methylideneamino]thieno[2,3-d]pyrimidin-4-one
SMILESO=c1c2c(-c3ccc(Cl)cc3)csc2ncn1/N=C\c1cccc(F)c1
InChIInChI=1S/C19H11ClFN3OS/c20-14-6-4-13(5-7-14)16-10-26-18-17(16)19(25)24(11-22-18)23-9-12-2-1-3-15(21)8-12/h1-11H/b23-9-
InChIKeyAWXAPVTYCBWJNS-AQHIEDMUSA-N
XLogP4.80
TPSA47.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.84
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-3-[(Z)-(3-fluorophenyl)methylideneamino]thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 5-(4-chlorophenyl)-3-[(Z)-(3-fluorophenyl)methylideneamino]thieno[2,3-d]pyrimidin-4-one (CID 6045430) is 5-(4-chlorophenyl)-3-[(Z)-(3-fluorophenyl)methylideneamino]thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(4-chlorophenyl)-3-[(Z)-(3-fluorophenyl)methylideneamino]thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(4-chlorophenyl)-3-[(Z)-(3-fluorophenyl)methylideneamino]thieno[2,3-d]pyrimidin-4-one is O=c1c2c(-c3ccc(Cl)cc3)csc2ncn1/N=C\c1cccc(F)c1.
What is the InChIKey of 5-(4-chlorophenyl)-3-[(Z)-(3-fluorophenyl)methylideneamino]thieno[2,3-d]pyrimidin-4-one?
The InChIKey is AWXAPVTYCBWJNS-AQHIEDMUSA-N. The full InChI is InChI=1S/C19H11ClFN3OS/c20-14-6-4-13(5-7-14)16-10-26-18-17(16)19(25)24(11-22-18)23-9-12-2-1-3-15(21)8-12/h1-11H/b23-9-.
What are the key properties of 5-(4-chlorophenyl)-3-[(Z)-(3-fluorophenyl)methylideneamino]thieno[2,3-d]pyrimidin-4-one?
5-(4-chlorophenyl)-3-[(Z)-(3-fluorophenyl)methylideneamino]thieno[2,3-d]pyrimidin-4-one has a molecular weight of 383.84 g/mol, XLogP of 4.80, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-3-[(Z)-(3-fluorophenyl)methylideneamino]thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 6045430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).