3-[(Z)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-6-ethylthieno[2,3-d]pyrimidin-4-one

C17H15F2N3O3S — CID 9174828

IUPAC3-[(Z)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-6-ethylthieno[2,3-d]pyrimidin-4-one
SMILESCCc1cc2c(=O)n(/N=C\c3ccc(OC(F)F)c(OC)c3)cnc2s1
InChIInChI=1S/C17H15F2N3O3S/c1-3-11-7-12-15(26-11)20-9-22(16(12)23)21-8-10-4-5-13(25-17(18)19)14(6-10)24-2/h4-9,17H,3H2,1-2H3/b21-8-
InChIKeyNGXRUGDYHBMSRO-WNFQYIGGSA-N
MW379.39 g/mol
LogP3.51
Rot. Bonds6

About 3-[(Z)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-6-ethylthieno[2,3-d]pyrimidin-4-one

3-[(Z)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-6-ethylthieno[2,3-d]pyrimidin-4-one (PubChem CID 9174828) has the molecular formula C17H15F2N3O3S and a molecular weight of 379.39 g/mol. Its IUPAC name is 3-[(Z)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-6-ethylthieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[(Z)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-6-ethylthieno[2,3-d]pyrimidin-4-one
PubChem CID9174828
Molecular FormulaC17H15F2N3O3S
Molecular Weight379.39 g/mol
Exact Mass379.08
IUPAC Name3-[(Z)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-6-ethylthieno[2,3-d]pyrimidin-4-one
SMILESCCc1cc2c(=O)n(/N=C\c3ccc(OC(F)F)c(OC)c3)cnc2s1
InChIInChI=1S/C17H15F2N3O3S/c1-3-11-7-12-15(26-11)20-9-22(16(12)23)21-8-10-4-5-13(25-17(18)19)14(6-10)24-2/h4-9,17H,3H2,1-2H3/b21-8-
InChIKeyNGXRUGDYHBMSRO-WNFQYIGGSA-N
XLogP3.51
TPSA65.71 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.39
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-[(Z)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-6-ethylthieno[2,3-d]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(Z)-[4-(difluoromethoxy)-3,5-dimethoxyphenyl]methylideneamino]-6-ethylthieno[2,3-d]pyrimidin-4-one
CID 9174783
3-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]-6-ethylthieno[2,3-d]pyrimidin-4-one
CID 9174727
6-ethyl-3-[(Z)-(3-fluorophenyl)methylideneamino]thieno[2,3-d]pyrimidin-4-one
CID 7993958
6-ethyl-3-[(Z)-(2-methyl-1,3-thiazol-4-yl)methylideneamino]thieno[2,3-d]pyrimidin-4-one
CID 9174789
6-ethyl-3-[(5-fluoro-2-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-one
CID 18203155
3-[(Z)-(1-benzyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-6-ethylthieno[2,3-d]pyrimidin-4-one
CID 9174720
(Z)-1-[4-(difluoromethoxy)-3-methoxyphenyl]-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine
CID 9028029
3-[[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-2-methylquinazolin-4-one
CID 3298098
3-[(Z)-(4-chloro-2-piperidin-1-yl-1,3-thiazol-5-yl)methylideneamino]-6-ethylthieno[2,3-d]pyrimidin-4-one
CID 9231256
6-amino-1-[[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-4-methylpyridin-2-one
CID 23376478
3-[(Z)-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]methylideneamino]-6-ethylthieno[2,3-d]pyrimidin-4-one
CID 9147500
4-(difluoromethoxy)-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)benzamide
CID 8912423

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-6-ethylthieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-[(Z)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-6-ethylthieno[2,3-d]pyrimidin-4-one (CID 9174828) is 3-[(Z)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-6-ethylthieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-[(Z)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-6-ethylthieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-[(Z)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-6-ethylthieno[2,3-d]pyrimidin-4-one is CCc1cc2c(=O)n(/N=C\c3ccc(OC(F)F)c(OC)c3)cnc2s1.
What is the InChIKey of 3-[(Z)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-6-ethylthieno[2,3-d]pyrimidin-4-one?
The InChIKey is NGXRUGDYHBMSRO-WNFQYIGGSA-N. The full InChI is InChI=1S/C17H15F2N3O3S/c1-3-11-7-12-15(26-11)20-9-22(16(12)23)21-8-10-4-5-13(25-17(18)19)14(6-10)24-2/h4-9,17H,3H2,1-2H3/b21-8-.
What are the key properties of 3-[(Z)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-6-ethylthieno[2,3-d]pyrimidin-4-one?
3-[(Z)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-6-ethylthieno[2,3-d]pyrimidin-4-one has a molecular weight of 379.39 g/mol, XLogP of 3.51, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-6-ethylthieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 9174828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).