N-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(4-oxo-3-phenyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide

C21H15N5O3S3 — CID 60525480

IUPACN-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(4-oxo-3-phenyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
SMILESCc1noc(NC(=O)CSc2nc3scc(-c4cccs4)c3c(=O)n2-c2ccccc2)n1
InChIInChI=1S/C21H15N5O3S3/c1-12-22-20(29-25-12)23-16(27)11-32-21-24-18-17(14(10-31-18)15-8-5-9-30-15)19(28)26(21)13-6-3-2-4-7-13/h2-10H,11H2,1H3,(H,22,23,25,27)
InChIKeyYSFUWCLKJRWPDD-UHFFFAOYSA-N
MW481.58 g/mol
LogP4.60
Rot. Bonds6

About N-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(4-oxo-3-phenyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide

N-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(4-oxo-3-phenyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide (PubChem CID 60525480) has the molecular formula C21H15N5O3S3 and a molecular weight of 481.58 g/mol. Its IUPAC name is N-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(4-oxo-3-phenyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(4-oxo-3-phenyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
PubChem CID60525480
Molecular FormulaC21H15N5O3S3
Molecular Weight481.58 g/mol
Exact Mass481.03
IUPAC NameN-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(4-oxo-3-phenyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
SMILESCc1noc(NC(=O)CSc2nc3scc(-c4cccs4)c3c(=O)n2-c2ccccc2)n1
InChIInChI=1S/C21H15N5O3S3/c1-12-22-20(29-25-12)23-16(27)11-32-21-24-18-17(14(10-31-18)15-8-5-9-30-15)19(28)26(21)13-6-3-2-4-7-13/h2-10H,11H2,1H3,(H,22,23,25,27)
InChIKeyYSFUWCLKJRWPDD-UHFFFAOYSA-N
XLogP4.60
TPSA102.91 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.58
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

N-methyl-2-(4-oxo-3-phenyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 7743776
N-carbamoyl-2-(4-oxo-3-phenyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 2500326
N-(furan-2-ylmethyl)-2-(4-oxo-3-phenyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 2386977
N-(3,4-dimethylphenyl)-2-(4-oxo-3,5-diphenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 2383702
N-(2,6-dichlorophenyl)-2-(3-methyl-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 35772982
N-(4-cyanophenyl)-2-(3-methyl-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 35772987
2-(3-ethyl-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)acetamide
CID 4821340
methyl 2-(3-methyl-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetate
CID 18075636
N-(5-chloro-2-pyridinyl)-2-(3-ethyl-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 24594086
N-(3-acetylphenyl)-2-(3-methyl-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 16542391
2-[5-(4-chlorophenyl)-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide
CID 2382652
2-(3-methyl-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(4-methylphenyl)methyl]acetamide
CID 35790783

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(4-oxo-3-phenyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide?
The IUPAC name of N-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(4-oxo-3-phenyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide (CID 60525480) is N-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(4-oxo-3-phenyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(4-oxo-3-phenyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(4-oxo-3-phenyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide is Cc1noc(NC(=O)CSc2nc3scc(-c4cccs4)c3c(=O)n2-c2ccccc2)n1.
What is the InChIKey of N-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(4-oxo-3-phenyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide?
The InChIKey is YSFUWCLKJRWPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N5O3S3/c1-12-22-20(29-25-12)23-16(27)11-32-21-24-18-17(14(10-31-18)15-8-5-9-30-15)19(28)26(21)13-6-3-2-4-7-13/h2-10H,11H2,1H3,(H,22,23,25,27).
What are the key properties of N-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(4-oxo-3-phenyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide?
N-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(4-oxo-3-phenyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide has a molecular weight of 481.58 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(4-oxo-3-phenyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide is sourced from PubChem (CID 60525480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).