2-thieno[3,2-d]pyrimidin-4-ylsulfanyl-N-(2-thiophen-2-ylethylcarbamoyl)acetamide

C15H14N4O2S3 — CID 34253728

IUPAC2-thieno[3,2-d]pyrimidin-4-ylsulfanyl-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
SMILESO=C(CSc1ncnc2ccsc12)NC(=O)NCCc1cccs1
InChIInChI=1S/C15H14N4O2S3/c20-12(19-15(21)16-5-3-10-2-1-6-22-10)8-24-14-13-11(4-7-23-13)17-9-18-14/h1-2,4,6-7,9H,3,5,8H2,(H2,16,19,20,21)
InChIKeyFJGNCBSQYHMLGX-UHFFFAOYSA-N
MW378.50 g/mol
LogP2.91
Rot. Bonds6

About 2-thieno[3,2-d]pyrimidin-4-ylsulfanyl-N-(2-thiophen-2-ylethylcarbamoyl)acetamide

2-thieno[3,2-d]pyrimidin-4-ylsulfanyl-N-(2-thiophen-2-ylethylcarbamoyl)acetamide (PubChem CID 34253728) has the molecular formula C15H14N4O2S3 and a molecular weight of 378.50 g/mol. Its IUPAC name is 2-thieno[3,2-d]pyrimidin-4-ylsulfanyl-N-(2-thiophen-2-ylethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-thieno[3,2-d]pyrimidin-4-ylsulfanyl-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
PubChem CID34253728
Molecular FormulaC15H14N4O2S3
Molecular Weight378.50 g/mol
Exact Mass378.03
IUPAC Name2-thieno[3,2-d]pyrimidin-4-ylsulfanyl-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
SMILESO=C(CSc1ncnc2ccsc12)NC(=O)NCCc1cccs1
InChIInChI=1S/C15H14N4O2S3/c20-12(19-15(21)16-5-3-10-2-1-6-22-10)8-24-14-13-11(4-7-23-13)17-9-18-14/h1-2,4,6-7,9H,3,5,8H2,(H2,16,19,20,21)
InChIKeyFJGNCBSQYHMLGX-UHFFFAOYSA-N
XLogP2.91
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[5-[2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 55384644
2-(2-bromophenyl)sulfanyl-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 36988394
2-(4-methoxyphenyl)sulfanyl-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 27562284
N-(3-methoxypropyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide
CID 46661847
N-(3-methylbutan-2-yl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide
CID 46661730
2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 28594751
N-(3-bromophenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide
CID 34244719
N-(2-propan-2-ylpyrazol-3-yl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide
CID 18123864
2-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 28580813
2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 28601650
2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 42200923
2-(3-methylquinoxalin-2-yl)sulfanyl-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 35502144

Frequently Asked Questions

What is the IUPAC name of 2-thieno[3,2-d]pyrimidin-4-ylsulfanyl-N-(2-thiophen-2-ylethylcarbamoyl)acetamide?
The IUPAC name of 2-thieno[3,2-d]pyrimidin-4-ylsulfanyl-N-(2-thiophen-2-ylethylcarbamoyl)acetamide (CID 34253728) is 2-thieno[3,2-d]pyrimidin-4-ylsulfanyl-N-(2-thiophen-2-ylethylcarbamoyl)acetamide.
What is the SMILES notation for 2-thieno[3,2-d]pyrimidin-4-ylsulfanyl-N-(2-thiophen-2-ylethylcarbamoyl)acetamide?
The canonical SMILES for 2-thieno[3,2-d]pyrimidin-4-ylsulfanyl-N-(2-thiophen-2-ylethylcarbamoyl)acetamide is O=C(CSc1ncnc2ccsc12)NC(=O)NCCc1cccs1.
What is the InChIKey of 2-thieno[3,2-d]pyrimidin-4-ylsulfanyl-N-(2-thiophen-2-ylethylcarbamoyl)acetamide?
The InChIKey is FJGNCBSQYHMLGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2S3/c20-12(19-15(21)16-5-3-10-2-1-6-22-10)8-24-14-13-11(4-7-23-13)17-9-18-14/h1-2,4,6-7,9H,3,5,8H2,(H2,16,19,20,21).
What are the key properties of 2-thieno[3,2-d]pyrimidin-4-ylsulfanyl-N-(2-thiophen-2-ylethylcarbamoyl)acetamide?
2-thieno[3,2-d]pyrimidin-4-ylsulfanyl-N-(2-thiophen-2-ylethylcarbamoyl)acetamide has a molecular weight of 378.50 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thieno[3,2-d]pyrimidin-4-ylsulfanyl-N-(2-thiophen-2-ylethylcarbamoyl)acetamide is sourced from PubChem (CID 34253728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).