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

C12H11N5O2S — CID 32605538

IUPACN-(1-methylpyrazol-4-yl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
SMILESCn1cc(NC(=O)Cn2cnc3sccc3c2=O)cn1
InChIInChI=1S/C12H11N5O2S/c1-16-5-8(4-14-16)15-10(18)6-17-7-13-11-9(12(17)19)2-3-20-11/h2-5,7H,6H2,1H3,(H,15,18)
InChIKeyPMPOANORCABXGC-UHFFFAOYSA-N
MW289.32 g/mol
LogP0.83
Rot. Bonds3

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

N-(1-methylpyrazol-4-yl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide (PubChem CID 32605538) has the molecular formula C12H11N5O2S and a molecular weight of 289.32 g/mol. Its IUPAC name is N-(1-methylpyrazol-4-yl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-(1-methylpyrazol-4-yl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
PubChem CID32605538
Molecular FormulaC12H11N5O2S
Molecular Weight289.32 g/mol
Exact Mass289.06
IUPAC NameN-(1-methylpyrazol-4-yl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
SMILESCn1cc(NC(=O)Cn2cnc3sccc3c2=O)cn1
InChIInChI=1S/C12H11N5O2S/c1-16-5-8(4-14-16)15-10(18)6-17-7-13-11-9(12(17)19)2-3-20-11/h2-5,7H,6H2,1H3,(H,15,18)
InChIKeyPMPOANORCABXGC-UHFFFAOYSA-N
XLogP0.83
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-4-yl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The IUPAC name of N-(1-methylpyrazol-4-yl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide (CID 32605538) is N-(1-methylpyrazol-4-yl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N-(1-methylpyrazol-4-yl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-(1-methylpyrazol-4-yl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide is Cn1cc(NC(=O)Cn2cnc3sccc3c2=O)cn1.
What is the InChIKey of N-(1-methylpyrazol-4-yl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The InChIKey is PMPOANORCABXGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O2S/c1-16-5-8(4-14-16)15-10(18)6-17-7-13-11-9(12(17)19)2-3-20-11/h2-5,7H,6H2,1H3,(H,15,18).
What are the key properties of N-(1-methylpyrazol-4-yl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
N-(1-methylpyrazol-4-yl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide has a molecular weight of 289.32 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrazol-4-yl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 32605538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).