6-ethyl-3-[(Z)-(2-methyl-1,3-thiazol-4-yl)methylideneamino]thieno[2,3-d]pyrimidin-4-one

C13H12N4OS2 — CID 9174789

IUPAC6-ethyl-3-[(Z)-(2-methyl-1,3-thiazol-4-yl)methylideneamino]thieno[2,3-d]pyrimidin-4-one
SMILESCCc1cc2c(=O)n(/N=C\c3csc(C)n3)cnc2s1
InChIInChI=1S/C13H12N4OS2/c1-3-10-4-11-12(20-10)14-7-17(13(11)18)15-5-9-6-19-8(2)16-9/h4-7H,3H2,1-2H3/b15-5-
InChIKeyGFJOEECKOGKPEZ-WCSRMQSCSA-N
MW304.40 g/mol
LogP2.67
Rot. Bonds3

About 6-ethyl-3-[(Z)-(2-methyl-1,3-thiazol-4-yl)methylideneamino]thieno[2,3-d]pyrimidin-4-one

6-ethyl-3-[(Z)-(2-methyl-1,3-thiazol-4-yl)methylideneamino]thieno[2,3-d]pyrimidin-4-one (PubChem CID 9174789) has the molecular formula C13H12N4OS2 and a molecular weight of 304.40 g/mol. Its IUPAC name is 6-ethyl-3-[(Z)-(2-methyl-1,3-thiazol-4-yl)methylideneamino]thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-ethyl-3-[(Z)-(2-methyl-1,3-thiazol-4-yl)methylideneamino]thieno[2,3-d]pyrimidin-4-one
PubChem CID9174789
Molecular FormulaC13H12N4OS2
Molecular Weight304.40 g/mol
Exact Mass304.05
IUPAC Name6-ethyl-3-[(Z)-(2-methyl-1,3-thiazol-4-yl)methylideneamino]thieno[2,3-d]pyrimidin-4-one
SMILESCCc1cc2c(=O)n(/N=C\c3csc(C)n3)cnc2s1
InChIInChI=1S/C13H12N4OS2/c1-3-10-4-11-12(20-10)14-7-17(13(11)18)15-5-9-6-19-8(2)16-9/h4-7H,3H2,1-2H3/b15-5-
InChIKeyGFJOEECKOGKPEZ-WCSRMQSCSA-N
XLogP2.67
TPSA60.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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 6-ethyl-3-[(Z)-(2-methyl-1,3-thiazol-4-yl)methylideneamino]thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 6-ethyl-3-[(Z)-(2-methyl-1,3-thiazol-4-yl)methylideneamino]thieno[2,3-d]pyrimidin-4-one (CID 9174789) is 6-ethyl-3-[(Z)-(2-methyl-1,3-thiazol-4-yl)methylideneamino]thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-ethyl-3-[(Z)-(2-methyl-1,3-thiazol-4-yl)methylideneamino]thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 6-ethyl-3-[(Z)-(2-methyl-1,3-thiazol-4-yl)methylideneamino]thieno[2,3-d]pyrimidin-4-one is CCc1cc2c(=O)n(/N=C\c3csc(C)n3)cnc2s1.
What is the InChIKey of 6-ethyl-3-[(Z)-(2-methyl-1,3-thiazol-4-yl)methylideneamino]thieno[2,3-d]pyrimidin-4-one?
The InChIKey is GFJOEECKOGKPEZ-WCSRMQSCSA-N. The full InChI is InChI=1S/C13H12N4OS2/c1-3-10-4-11-12(20-10)14-7-17(13(11)18)15-5-9-6-19-8(2)16-9/h4-7H,3H2,1-2H3/b15-5-.
What are the key properties of 6-ethyl-3-[(Z)-(2-methyl-1,3-thiazol-4-yl)methylideneamino]thieno[2,3-d]pyrimidin-4-one?
6-ethyl-3-[(Z)-(2-methyl-1,3-thiazol-4-yl)methylideneamino]thieno[2,3-d]pyrimidin-4-one has a molecular weight of 304.40 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-[(Z)-(2-methyl-1,3-thiazol-4-yl)methylideneamino]thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 9174789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).