2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C14H14N4O3S — CID 7885633

IUPAC2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)Cn2cnc3sc(C)c(C)c3c2=O)no1
InChIInChI=1S/C14H14N4O3S/c1-7-4-10(17-21-7)16-11(19)5-18-6-15-13-12(14(18)20)8(2)9(3)22-13/h4,6H,5H2,1-3H3,(H,16,17,19)
InChIKeyWQNRTSNZTXHNFA-UHFFFAOYSA-N
MW318.36 g/mol
LogP2.01
Rot. Bonds3

About 2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 7885633) has the molecular formula C14H14N4O3S and a molecular weight of 318.36 g/mol. Its IUPAC name is 2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID7885633
Molecular FormulaC14H14N4O3S
Molecular Weight318.36 g/mol
Exact Mass318.08
IUPAC Name2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)Cn2cnc3sc(C)c(C)c3c2=O)no1
InChIInChI=1S/C14H14N4O3S/c1-7-4-10(17-21-7)16-11(19)5-18-6-15-13-12(14(18)20)8(2)9(3)22-13/h4,6H,5H2,1-3H3,(H,16,17,19)
InChIKeyWQNRTSNZTXHNFA-UHFFFAOYSA-N
XLogP2.01
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.36
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 7885633) is 2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cc(NC(=O)Cn2cnc3sc(C)c(C)c3c2=O)no1.
What is the InChIKey of 2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is WQNRTSNZTXHNFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3S/c1-7-4-10(17-21-7)16-11(19)5-18-6-15-13-12(14(18)20)8(2)9(3)22-13/h4,6H,5H2,1-3H3,(H,16,17,19).
What are the key properties of 2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 318.36 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 7885633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).