N-cyclopentyl-2-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)acetamide

C13H15N3O3S — CID 4647526

IUPACN-cyclopentyl-2-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)acetamide
SMILESO=C(Cn1c(=O)[nH]c2ccsc2c1=O)NC1CCCC1
InChIInChI=1S/C13H15N3O3S/c17-10(14-8-3-1-2-4-8)7-16-12(18)11-9(5-6-20-11)15-13(16)19/h5-6,8H,1-4,7H2,(H,14,17)(H,15,19)
InChIKeyKLCFMXLMOXIXBT-UHFFFAOYSA-N
MW293.35 g/mol
LogP0.81
Rot. Bonds3

About N-cyclopentyl-2-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)acetamide

N-cyclopentyl-2-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)acetamide (PubChem CID 4647526) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is N-cyclopentyl-2-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)acetamide
PubChem CID4647526
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC NameN-cyclopentyl-2-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)acetamide
SMILESO=C(Cn1c(=O)[nH]c2ccsc2c1=O)NC1CCCC1
InChIInChI=1S/C13H15N3O3S/c17-10(14-8-3-1-2-4-8)7-16-12(18)11-9(5-6-20-11)15-13(16)19/h5-6,8H,1-4,7H2,(H,14,17)(H,15,19)
InChIKeyKLCFMXLMOXIXBT-UHFFFAOYSA-N
XLogP0.81
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cycloheptyl-2-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)acetamide
CID 3239877
N-(2,3-dimethylcyclohexyl)-3-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)propanamide
CID 4583346
N-cyclopentyl-2-(2,4-dioxo-3-phenylthieno[3,2-d]pyrimidin-1-yl)acetamide
CID 6619388
N-cyclohexyl-2-(2,4-dioxo-1H-pyrimidin-3-yl)acetamide
CID 103603459
N-(4-hydroxycyclohexyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 110895299
3-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione
CID 3575140
N-cyclopentyl-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide
CID 46396035
N-cyclopropyl-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide
CID 33277929
3-benzyl-1H-thieno[3,2-d]pyrimidine-2,4-dione
CID 56686605
5-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-phenylpentanamide
CID 22422855
N-cyclohexyl-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide
CID 46396089
3-[2-(cyclopropylamino)-2-oxoethyl]-2-oxo-1H-benzimidazole-5-carboxylic acid
CID 82783974

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)acetamide?
The IUPAC name of N-cyclopentyl-2-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)acetamide (CID 4647526) is N-cyclopentyl-2-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N-cyclopentyl-2-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-cyclopentyl-2-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)acetamide is O=C(Cn1c(=O)[nH]c2ccsc2c1=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)acetamide?
The InChIKey is KLCFMXLMOXIXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c17-10(14-8-3-1-2-4-8)7-16-12(18)11-9(5-6-20-11)15-13(16)19/h5-6,8H,1-4,7H2,(H,14,17)(H,15,19).
What are the key properties of N-cyclopentyl-2-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)acetamide?
N-cyclopentyl-2-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)acetamide has a molecular weight of 293.35 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 4647526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).