2-[5-(4-chlorophenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]acetamide

C14H10ClN3O2S — CID 852952

IUPAC2-[5-(4-chlorophenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]acetamide
SMILESNC(=O)Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)[nH]1
InChIInChI=1S/C14H10ClN3O2S/c15-8-3-1-7(2-4-8)9-6-21-14-12(9)13(20)17-11(18-14)5-10(16)19/h1-4,6H,5H2,(H2,16,19)(H,17,18,20)
InChIKeyANUYUHVAGCNQMV-UHFFFAOYSA-N
MW319.77 g/mol
LogP2.33
Rot. Bonds3

About 2-[5-(4-chlorophenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]acetamide

2-[5-(4-chlorophenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]acetamide (PubChem CID 852952) has the molecular formula C14H10ClN3O2S and a molecular weight of 319.77 g/mol. Its IUPAC name is 2-[5-(4-chlorophenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]acetamide.

Molecular Properties

Compound Name2-[5-(4-chlorophenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]acetamide
PubChem CID852952
Molecular FormulaC14H10ClN3O2S
Molecular Weight319.77 g/mol
Exact Mass319.02
IUPAC Name2-[5-(4-chlorophenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]acetamide
SMILESNC(=O)Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)[nH]1
InChIInChI=1S/C14H10ClN3O2S/c15-8-3-1-7(2-4-8)9-6-21-14-12(9)13(20)17-11(18-14)5-10(16)19/h1-4,6H,5H2,(H2,16,19)(H,17,18,20)
InChIKeyANUYUHVAGCNQMV-UHFFFAOYSA-N
XLogP2.33
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.77
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-chlorophenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]acetamide?
The IUPAC name of 2-[5-(4-chlorophenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]acetamide (CID 852952) is 2-[5-(4-chlorophenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]acetamide.
What is the SMILES notation for 2-[5-(4-chlorophenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]acetamide?
The canonical SMILES for 2-[5-(4-chlorophenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]acetamide is NC(=O)Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)[nH]1.
What is the InChIKey of 2-[5-(4-chlorophenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]acetamide?
The InChIKey is ANUYUHVAGCNQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O2S/c15-8-3-1-7(2-4-8)9-6-21-14-12(9)13(20)17-11(18-14)5-10(16)19/h1-4,6H,5H2,(H2,16,19)(H,17,18,20).
What are the key properties of 2-[5-(4-chlorophenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]acetamide?
2-[5-(4-chlorophenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]acetamide has a molecular weight of 319.77 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-chlorophenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]acetamide is sourced from PubChem (CID 852952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).