6-benzyl-N-[(E)-1,3-thiazol-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine

C17H13N5S2 — CID 10236989

IUPAC6-benzyl-N-[(E)-1,3-thiazol-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine
SMILESC(=N/Nc1ncnc2sc(Cc3ccccc3)cc12)\c1nccs1
InChIInChI=1S/C17H13N5S2/c1-2-4-12(5-3-1)8-13-9-14-16(19-11-20-17(14)24-13)22-21-10-15-18-6-7-23-15/h1-7,9-11H,8H2,(H,19,20,22)/b21-10+
InChIKeyCOWYHWTUQODVNE-UFFVCSGVSA-N
MW351.46 g/mol
LogP4.18
Rot. Bonds5

About 6-benzyl-N-[(E)-1,3-thiazol-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine

6-benzyl-N-[(E)-1,3-thiazol-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 10236989) has the molecular formula C17H13N5S2 and a molecular weight of 351.46 g/mol. Its IUPAC name is 6-benzyl-N-[(E)-1,3-thiazol-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-benzyl-N-[(E)-1,3-thiazol-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine
PubChem CID10236989
Molecular FormulaC17H13N5S2
Molecular Weight351.46 g/mol
Exact Mass351.06
IUPAC Name6-benzyl-N-[(E)-1,3-thiazol-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine
SMILESC(=N/Nc1ncnc2sc(Cc3ccccc3)cc12)\c1nccs1
InChIInChI=1S/C17H13N5S2/c1-2-4-12(5-3-1)8-13-9-14-16(19-11-20-17(14)24-13)22-21-10-15-18-6-7-23-15/h1-7,9-11H,8H2,(H,19,20,22)/b21-10+
InChIKeyCOWYHWTUQODVNE-UFFVCSGVSA-N
XLogP4.18
TPSA63.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.46
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-N-[(E)-1,3-thiazol-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-benzyl-N-[(E)-1,3-thiazol-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine (CID 10236989) is 6-benzyl-N-[(E)-1,3-thiazol-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-benzyl-N-[(E)-1,3-thiazol-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-benzyl-N-[(E)-1,3-thiazol-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine is C(=N/Nc1ncnc2sc(Cc3ccccc3)cc12)\c1nccs1.
What is the InChIKey of 6-benzyl-N-[(E)-1,3-thiazol-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is COWYHWTUQODVNE-UFFVCSGVSA-N. The full InChI is InChI=1S/C17H13N5S2/c1-2-4-12(5-3-1)8-13-9-14-16(19-11-20-17(14)24-13)22-21-10-15-18-6-7-23-15/h1-7,9-11H,8H2,(H,19,20,22)/b21-10+.
What are the key properties of 6-benzyl-N-[(E)-1,3-thiazol-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine?
6-benzyl-N-[(E)-1,3-thiazol-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 351.46 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-N-[(E)-1,3-thiazol-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 10236989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).