2-[4-amino-5-(4-methoxyphenyl)-2-oxothieno[2,3-d]pyrimidin-1-yl]acetamide

C15H14N4O3S — CID 53369487

IUPAC2-[4-amino-5-(4-methoxyphenyl)-2-oxothieno[2,3-d]pyrimidin-1-yl]acetamide
SMILESCOc1ccc(-c2csc3c2c(N)nc(=O)n3CC(N)=O)cc1
InChIInChI=1S/C15H14N4O3S/c1-22-9-4-2-8(3-5-9)10-7-23-14-12(10)13(17)18-15(21)19(14)6-11(16)20/h2-5,7H,6H2,1H3,(H2,16,20)(H2,17,18,21)
InChIKeyHXRIGLCRPIDWAV-UHFFFAOYSA-N
MW330.37 g/mol
LogP1.20
Rot. Bonds4

About 2-[4-amino-5-(4-methoxyphenyl)-2-oxothieno[2,3-d]pyrimidin-1-yl]acetamide

2-[4-amino-5-(4-methoxyphenyl)-2-oxothieno[2,3-d]pyrimidin-1-yl]acetamide (PubChem CID 53369487) has the molecular formula C15H14N4O3S and a molecular weight of 330.37 g/mol. Its IUPAC name is 2-[4-amino-5-(4-methoxyphenyl)-2-oxothieno[2,3-d]pyrimidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-amino-5-(4-methoxyphenyl)-2-oxothieno[2,3-d]pyrimidin-1-yl]acetamide
PubChem CID53369487
Molecular FormulaC15H14N4O3S
Molecular Weight330.37 g/mol
Exact Mass330.08
IUPAC Name2-[4-amino-5-(4-methoxyphenyl)-2-oxothieno[2,3-d]pyrimidin-1-yl]acetamide
SMILESCOc1ccc(-c2csc3c2c(N)nc(=O)n3CC(N)=O)cc1
InChIInChI=1S/C15H14N4O3S/c1-22-9-4-2-8(3-5-9)10-7-23-14-12(10)13(17)18-15(21)19(14)6-11(16)20/h2-5,7H,6H2,1H3,(H2,16,20)(H2,17,18,21)
InChIKeyHXRIGLCRPIDWAV-UHFFFAOYSA-N
XLogP1.20
TPSA113.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-5-(4-methoxyphenyl)-2-oxothieno[2,3-d]pyrimidin-1-yl]acetamide?
The IUPAC name of 2-[4-amino-5-(4-methoxyphenyl)-2-oxothieno[2,3-d]pyrimidin-1-yl]acetamide (CID 53369487) is 2-[4-amino-5-(4-methoxyphenyl)-2-oxothieno[2,3-d]pyrimidin-1-yl]acetamide.
What is the SMILES notation for 2-[4-amino-5-(4-methoxyphenyl)-2-oxothieno[2,3-d]pyrimidin-1-yl]acetamide?
The canonical SMILES for 2-[4-amino-5-(4-methoxyphenyl)-2-oxothieno[2,3-d]pyrimidin-1-yl]acetamide is COc1ccc(-c2csc3c2c(N)nc(=O)n3CC(N)=O)cc1.
What is the InChIKey of 2-[4-amino-5-(4-methoxyphenyl)-2-oxothieno[2,3-d]pyrimidin-1-yl]acetamide?
The InChIKey is HXRIGLCRPIDWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O3S/c1-22-9-4-2-8(3-5-9)10-7-23-14-12(10)13(17)18-15(21)19(14)6-11(16)20/h2-5,7H,6H2,1H3,(H2,16,20)(H2,17,18,21).
What are the key properties of 2-[4-amino-5-(4-methoxyphenyl)-2-oxothieno[2,3-d]pyrimidin-1-yl]acetamide?
2-[4-amino-5-(4-methoxyphenyl)-2-oxothieno[2,3-d]pyrimidin-1-yl]acetamide has a molecular weight of 330.37 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-5-(4-methoxyphenyl)-2-oxothieno[2,3-d]pyrimidin-1-yl]acetamide is sourced from PubChem (CID 53369487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).