2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide

C13H12N4O2S2 — CID 51264113

IUPAC2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide
SMILESNc1nc(SCC(=O)NCc2ccco2)nc2sccc12
InChIInChI=1S/C13H12N4O2S2/c14-11-9-3-5-20-12(9)17-13(16-11)21-7-10(18)15-6-8-2-1-4-19-8/h1-5H,6-7H2,(H,15,18)(H2,14,16,17)
InChIKeyTVTXDEMTZONADJ-UHFFFAOYSA-N
MW320.40 g/mol
LogP2.28
Rot. Bonds5

About 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide

2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide (PubChem CID 51264113) has the molecular formula C13H12N4O2S2 and a molecular weight of 320.40 g/mol. Its IUPAC name is 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide
PubChem CID51264113
Molecular FormulaC13H12N4O2S2
Molecular Weight320.40 g/mol
Exact Mass320.04
IUPAC Name2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide
SMILESNc1nc(SCC(=O)NCc2ccco2)nc2sccc12
InChIInChI=1S/C13H12N4O2S2/c14-11-9-3-5-20-12(9)17-13(16-11)21-7-10(18)15-6-8-2-1-4-19-8/h1-5H,6-7H2,(H,15,18)(H2,14,16,17)
InChIKeyTVTXDEMTZONADJ-UHFFFAOYSA-N
XLogP2.28
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[4,6-bis[[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl]-1,3,5-triazin-2-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 3116887
N-(furan-2-ylmethyl)-2-(4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 7201820
2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 46572831
2-[(3-amino-12-ethyl-12-methyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-5-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 3589434
2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(1R)-1-cyclopropylethyl]acetamide
CID 41192192
2-[(3-amino-2-pyridinyl)sulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 43300547
N-(furan-2-ylmethyl)-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 860469
N-(furan-2-ylmethyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 1263321
2-(furan-2-ylmethylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62189115
2-(3-aminophenyl)sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 79133329
2-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 684732
N-(furan-2-ylmethyl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide
CID 5290284

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide (CID 51264113) is 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide is Nc1nc(SCC(=O)NCc2ccco2)nc2sccc12.
What is the InChIKey of 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide?
The InChIKey is TVTXDEMTZONADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2S2/c14-11-9-3-5-20-12(9)17-13(16-11)21-7-10(18)15-6-8-2-1-4-19-8/h1-5H,6-7H2,(H,15,18)(H2,14,16,17).
What are the key properties of 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide?
2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide has a molecular weight of 320.40 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 51264113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).