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

C11H11N5OS2 — CID 51264258

IUPAC2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2-cyanoethyl)acetamide
SMILESN#CCCNC(=O)CSc1nc(N)c2ccsc2n1
InChIInChI=1S/C11H11N5OS2/c12-3-1-4-14-8(17)6-19-11-15-9(13)7-2-5-18-10(7)16-11/h2,5H,1,4,6H2,(H,14,17)(H2,13,15,16)
InChIKeyLZWIWKZJCSIYRS-UHFFFAOYSA-N
MW293.38 g/mol
LogP1.40
Rot. Bonds5

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

2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2-cyanoethyl)acetamide (PubChem CID 51264258) has the molecular formula C11H11N5OS2 and a molecular weight of 293.38 g/mol. Its IUPAC name is 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2-cyanoethyl)acetamide.

Molecular Properties

Compound Name2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2-cyanoethyl)acetamide
PubChem CID51264258
Molecular FormulaC11H11N5OS2
Molecular Weight293.38 g/mol
Exact Mass293.04
IUPAC Name2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2-cyanoethyl)acetamide
SMILESN#CCCNC(=O)CSc1nc(N)c2ccsc2n1
InChIInChI=1S/C11H11N5OS2/c12-3-1-4-14-8(17)6-19-11-15-9(13)7-2-5-18-10(7)16-11/h2,5H,1,4,6H2,(H,14,17)(H2,13,15,16)
InChIKeyLZWIWKZJCSIYRS-UHFFFAOYSA-N
XLogP1.40
TPSA104.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.38
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2-methoxyethyl)acetamide
CID 60699011
2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 51264113
2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-pyrimidin-2-ylacetamide
CID 60699189
2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(1R)-1-cyclopropylethyl]acetamide
CID 41192192
2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-1-(azetidin-1-yl)ethanone
CID 60733654
2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N,N-bis(prop-2-enyl)acetamide
CID 51264157
3-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(methylcarbamoyl)propanamide
CID 60728043
N-(2-cyanoethyl)-2-[(4-oxo-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
CID 7587928
2-(4-chlorophenyl)sulfanyl-N-(2-cyanoethyl)acetamide
CID 7816400
2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[4-(4-benzylpiperazin-1-yl)phenyl]acetamide
CID 24622977
2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 39012999
2-(3-phenylprop-2-ynylsulfanyl)thieno[2,3-d]pyrimidin-4-amine
CID 62726751

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2-cyanoethyl)acetamide?
The IUPAC name of 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2-cyanoethyl)acetamide (CID 51264258) is 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2-cyanoethyl)acetamide.
What is the SMILES notation for 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2-cyanoethyl)acetamide?
The canonical SMILES for 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2-cyanoethyl)acetamide is N#CCCNC(=O)CSc1nc(N)c2ccsc2n1.
What is the InChIKey of 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2-cyanoethyl)acetamide?
The InChIKey is LZWIWKZJCSIYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5OS2/c12-3-1-4-14-8(17)6-19-11-15-9(13)7-2-5-18-10(7)16-11/h2,5H,1,4,6H2,(H,14,17)(H2,13,15,16).
What are the key properties of 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2-cyanoethyl)acetamide?
2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2-cyanoethyl)acetamide has a molecular weight of 293.38 g/mol, XLogP of 1.40, 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-(2-cyanoethyl)acetamide is sourced from PubChem (CID 51264258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).