N-ethyl-2-(5-methyl-2,4-dioxo-6-pyrazol-1-yl-1H-thieno[2,3-d]pyrimidin-3-yl)acetamide

C14H15N5O3S — CID 129101244

IUPACN-ethyl-2-(5-methyl-2,4-dioxo-6-pyrazol-1-yl-1H-thieno[2,3-d]pyrimidin-3-yl)acetamide
SMILESCCNC(=O)Cn1c(=O)[nH]c2sc(-n3cccn3)c(C)c2c1=O
InChIInChI=1S/C14H15N5O3S/c1-3-15-9(20)7-18-12(21)10-8(2)13(19-6-4-5-16-19)23-11(10)17-14(18)22/h4-6H,3,7H2,1-2H3,(H,15,20)(H,17,22)
InChIKeyQGABMOKZBNCMCO-UHFFFAOYSA-N
MW333.37 g/mol
LogP0.38
Rot. Bonds4

About N-ethyl-2-(5-methyl-2,4-dioxo-6-pyrazol-1-yl-1H-thieno[2,3-d]pyrimidin-3-yl)acetamide

N-ethyl-2-(5-methyl-2,4-dioxo-6-pyrazol-1-yl-1H-thieno[2,3-d]pyrimidin-3-yl)acetamide (PubChem CID 129101244) has the molecular formula C14H15N5O3S and a molecular weight of 333.37 g/mol. Its IUPAC name is N-ethyl-2-(5-methyl-2,4-dioxo-6-pyrazol-1-yl-1H-thieno[2,3-d]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-ethyl-2-(5-methyl-2,4-dioxo-6-pyrazol-1-yl-1H-thieno[2,3-d]pyrimidin-3-yl)acetamide
PubChem CID129101244
Molecular FormulaC14H15N5O3S
Molecular Weight333.37 g/mol
Exact Mass333.09
IUPAC NameN-ethyl-2-(5-methyl-2,4-dioxo-6-pyrazol-1-yl-1H-thieno[2,3-d]pyrimidin-3-yl)acetamide
SMILESCCNC(=O)Cn1c(=O)[nH]c2sc(-n3cccn3)c(C)c2c1=O
InChIInChI=1S/C14H15N5O3S/c1-3-15-9(20)7-18-12(21)10-8(2)13(19-6-4-5-16-19)23-11(10)17-14(18)22/h4-6H,3,7H2,1-2H3,(H,15,20)(H,17,22)
InChIKeyQGABMOKZBNCMCO-UHFFFAOYSA-N
XLogP0.38
TPSA101.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(5-methyl-2,4-dioxo-6-pyrazol-1-yl-1H-thieno[2,3-d]pyrimidin-3-yl)acetamide?
The IUPAC name of N-ethyl-2-(5-methyl-2,4-dioxo-6-pyrazol-1-yl-1H-thieno[2,3-d]pyrimidin-3-yl)acetamide (CID 129101244) is N-ethyl-2-(5-methyl-2,4-dioxo-6-pyrazol-1-yl-1H-thieno[2,3-d]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N-ethyl-2-(5-methyl-2,4-dioxo-6-pyrazol-1-yl-1H-thieno[2,3-d]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-ethyl-2-(5-methyl-2,4-dioxo-6-pyrazol-1-yl-1H-thieno[2,3-d]pyrimidin-3-yl)acetamide is CCNC(=O)Cn1c(=O)[nH]c2sc(-n3cccn3)c(C)c2c1=O.
What is the InChIKey of N-ethyl-2-(5-methyl-2,4-dioxo-6-pyrazol-1-yl-1H-thieno[2,3-d]pyrimidin-3-yl)acetamide?
The InChIKey is QGABMOKZBNCMCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O3S/c1-3-15-9(20)7-18-12(21)10-8(2)13(19-6-4-5-16-19)23-11(10)17-14(18)22/h4-6H,3,7H2,1-2H3,(H,15,20)(H,17,22).
What are the key properties of N-ethyl-2-(5-methyl-2,4-dioxo-6-pyrazol-1-yl-1H-thieno[2,3-d]pyrimidin-3-yl)acetamide?
N-ethyl-2-(5-methyl-2,4-dioxo-6-pyrazol-1-yl-1H-thieno[2,3-d]pyrimidin-3-yl)acetamide has a molecular weight of 333.37 g/mol, XLogP of 0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(5-methyl-2,4-dioxo-6-pyrazol-1-yl-1H-thieno[2,3-d]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 129101244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).