2-(4-oxothieno[3,2-d]pyrimidin-3-yl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]acetamide

C17H21N5O2S — CID 91793683

IUPAC2-(4-oxothieno[3,2-d]pyrimidin-3-yl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]acetamide
SMILESCC(C)c1nccn1CCCNC(=O)Cn1cnc2ccsc2c1=O
InChIInChI=1S/C17H21N5O2S/c1-12(2)16-19-6-8-21(16)7-3-5-18-14(23)10-22-11-20-13-4-9-25-15(13)17(22)24/h4,6,8-9,11-12H,3,5,7,10H2,1-2H3,(H,18,23)
InChIKeyYGZNBLZEKKYGGV-UHFFFAOYSA-N
MW359.46 g/mol
LogP1.98
Rot. Bonds7

About 2-(4-oxothieno[3,2-d]pyrimidin-3-yl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]acetamide

2-(4-oxothieno[3,2-d]pyrimidin-3-yl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]acetamide (PubChem CID 91793683) has the molecular formula C17H21N5O2S and a molecular weight of 359.46 g/mol. Its IUPAC name is 2-(4-oxothieno[3,2-d]pyrimidin-3-yl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(4-oxothieno[3,2-d]pyrimidin-3-yl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]acetamide
PubChem CID91793683
Molecular FormulaC17H21N5O2S
Molecular Weight359.46 g/mol
Exact Mass359.14
IUPAC Name2-(4-oxothieno[3,2-d]pyrimidin-3-yl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]acetamide
SMILESCC(C)c1nccn1CCCNC(=O)Cn1cnc2ccsc2c1=O
InChIInChI=1S/C17H21N5O2S/c1-12(2)16-19-6-8-21(16)7-3-5-18-14(23)10-22-11-20-13-4-9-25-15(13)17(22)24/h4,6,8-9,11-12H,3,5,7,10H2,1-2H3,(H,18,23)
InChIKeyYGZNBLZEKKYGGV-UHFFFAOYSA-N
XLogP1.98
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.46
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-oxothieno[3,2-d]pyrimidin-3-yl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]acetamide?
The IUPAC name of 2-(4-oxothieno[3,2-d]pyrimidin-3-yl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]acetamide (CID 91793683) is 2-(4-oxothieno[3,2-d]pyrimidin-3-yl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]acetamide.
What is the SMILES notation for 2-(4-oxothieno[3,2-d]pyrimidin-3-yl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]acetamide?
The canonical SMILES for 2-(4-oxothieno[3,2-d]pyrimidin-3-yl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]acetamide is CC(C)c1nccn1CCCNC(=O)Cn1cnc2ccsc2c1=O.
What is the InChIKey of 2-(4-oxothieno[3,2-d]pyrimidin-3-yl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]acetamide?
The InChIKey is YGZNBLZEKKYGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2S/c1-12(2)16-19-6-8-21(16)7-3-5-18-14(23)10-22-11-20-13-4-9-25-15(13)17(22)24/h4,6,8-9,11-12H,3,5,7,10H2,1-2H3,(H,18,23).
What are the key properties of 2-(4-oxothieno[3,2-d]pyrimidin-3-yl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]acetamide?
2-(4-oxothieno[3,2-d]pyrimidin-3-yl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]acetamide has a molecular weight of 359.46 g/mol, XLogP of 1.98, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxothieno[3,2-d]pyrimidin-3-yl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]acetamide is sourced from PubChem (CID 91793683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).