2-[(4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide

C14H14N4O3S2 — CID 39004073

IUPAC2-[(4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide
SMILESCC(C)c1cc(NC(=O)CSc2nc3sccc3c(=O)[nH]2)on1
InChIInChI=1S/C14H14N4O3S2/c1-7(2)9-5-11(21-18-9)15-10(19)6-23-14-16-12(20)8-3-4-22-13(8)17-14/h3-5,7H,6H2,1-2H3,(H,15,19)(H,16,17,20)
InChIKeyYFDPJKMWAMXAIO-UHFFFAOYSA-N
MW350.43 g/mol
LogP2.83
Rot. Bonds5

About 2-[(4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide

2-[(4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide (PubChem CID 39004073) has the molecular formula C14H14N4O3S2 and a molecular weight of 350.43 g/mol. Its IUPAC name is 2-[(4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide.

Molecular Properties

Compound Name2-[(4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide
PubChem CID39004073
Molecular FormulaC14H14N4O3S2
Molecular Weight350.43 g/mol
Exact Mass350.05
IUPAC Name2-[(4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide
SMILESCC(C)c1cc(NC(=O)CSc2nc3sccc3c(=O)[nH]2)on1
InChIInChI=1S/C14H14N4O3S2/c1-7(2)9-5-11(21-18-9)15-10(19)6-23-14-16-12(20)8-3-4-22-13(8)17-14/h3-5,7H,6H2,1-2H3,(H,15,19)(H,16,17,20)
InChIKeyYFDPJKMWAMXAIO-UHFFFAOYSA-N
XLogP2.83
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(2-propan-2-ylphenyl)acetamide
CID 40738432
N-[1-(4-fluorophenyl)ethyl]-2-[(4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
CID 17449472
N-(2-methylphenyl)-2-[(4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
CID 17449873
N-(3-chlorophenyl)-2-[(4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
CID 40738422
N-(3-chloro-4-fluorophenyl)-2-[(4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
CID 40738378
N-(2-chloro-5-nitrophenyl)-2-[(4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
CID 27189855
N-(3-methyl-1,2-oxazol-5-yl)-2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 30173583
2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 43051047
2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide
CID 51140531
2-(3-aminophenyl)sulfanyl-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide
CID 79134132
N-(3-methyl-1,2-oxazol-5-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide
CID 17450231
2-(2-amino-2-ethylbutyl)sulfanyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 82147787

Frequently Asked Questions

What is the IUPAC name of 2-[(4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide?
The IUPAC name of 2-[(4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide (CID 39004073) is 2-[(4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide.
What is the SMILES notation for 2-[(4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide?
The canonical SMILES for 2-[(4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide is CC(C)c1cc(NC(=O)CSc2nc3sccc3c(=O)[nH]2)on1.
What is the InChIKey of 2-[(4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide?
The InChIKey is YFDPJKMWAMXAIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3S2/c1-7(2)9-5-11(21-18-9)15-10(19)6-23-14-16-12(20)8-3-4-22-13(8)17-14/h3-5,7H,6H2,1-2H3,(H,15,19)(H,16,17,20).
What are the key properties of 2-[(4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide?
2-[(4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide has a molecular weight of 350.43 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide is sourced from PubChem (CID 39004073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).