N-[1-(5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]acetamide

C16H16N4OS2 — CID 138031313

IUPACN-[1-(5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)NC1CCN(c2ncnc3scc(-c4cccs4)c23)C1
InChIInChI=1S/C16H16N4OS2/c1-10(21)19-11-4-5-20(7-11)15-14-12(13-3-2-6-22-13)8-23-16(14)18-9-17-15/h2-3,6,8-9,11H,4-5,7H2,1H3,(H,19,21)
InChIKeyKBAYERUJXFIFGM-UHFFFAOYSA-N
MW344.47 g/mol
LogP3.13
Rot. Bonds3

About N-[1-(5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]acetamide

N-[1-(5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]acetamide (PubChem CID 138031313) has the molecular formula C16H16N4OS2 and a molecular weight of 344.47 g/mol. Its IUPAC name is N-[1-(5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-(5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]acetamide
PubChem CID138031313
Molecular FormulaC16H16N4OS2
Molecular Weight344.47 g/mol
Exact Mass344.08
IUPAC NameN-[1-(5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)NC1CCN(c2ncnc3scc(-c4cccs4)c23)C1
InChIInChI=1S/C16H16N4OS2/c1-10(21)19-11-4-5-20(7-11)15-14-12(13-3-2-6-22-13)8-23-16(14)18-9-17-15/h2-3,6,8-9,11H,4-5,7H2,1H3,(H,19,21)
InChIKeyKBAYERUJXFIFGM-UHFFFAOYSA-N
XLogP3.13
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.47
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[6-(3-acetamidopyrrolidin-1-yl)-5-methylpyrimidin-4-yl]pyrrolidin-3-yl]acetamide
CID 138033621
ethyl 2-hydroxy-5-[2-hydroxy-3-[[1-(5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]amino]propoxy]benzoate
CID 24936762
4-(4-benzhydrylpiperazin-1-yl)-5-thiophen-2-ylthieno[2,3-d]pyrimidine
CID 2023987
4-(4-benzhydrylpiperazin-4-ium-1-yl)-5-thiophen-2-ylthieno[2,3-d]pyrimidine
CID 2023986
N-[(3R)-1-(5,11-dihydro-[1]benzoxepino[3,4-d]pyrimidin-1-yl)pyrrolidin-3-yl]acetamide
CID 97454740
N-[1-(5-methoxyquinazolin-4-yl)piperidin-3-yl]acetamide
CID 138042775
4-(4-methylpiperidin-1-yl)-5-phenylthieno[2,3-d]pyrimidine
CID 675438
1-[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-N-(thiophen-2-ylmethyl)methanamine
CID 127024573
4-tert-butyl-5-thiophen-2-ylthieno[2,3-d]pyrimidine
CID 59774494
N-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]pyrazine-2-carboxamide
CID 175650654
(2R)-N-cyclopentyl-2-[(4-oxo-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]propanamide
CID 7247132
2-[[1-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidin-4-yl]amino]cyclohexan-1-ol
CID 24885451

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[1-(5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]acetamide (CID 138031313) is N-[1-(5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[1-(5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[1-(5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]acetamide is CC(=O)NC1CCN(c2ncnc3scc(-c4cccs4)c23)C1.
What is the InChIKey of N-[1-(5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]acetamide?
The InChIKey is KBAYERUJXFIFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4OS2/c1-10(21)19-11-4-5-20(7-11)15-14-12(13-3-2-6-22-13)8-23-16(14)18-9-17-15/h2-3,6,8-9,11H,4-5,7H2,1H3,(H,19,21).
What are the key properties of N-[1-(5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]acetamide?
N-[1-(5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]acetamide has a molecular weight of 344.47 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 138031313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).