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

C11H14N4O2S2 — CID 60699011

IUPAC2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CSc1nc(N)c2ccsc2n1
InChIInChI=1S/C11H14N4O2S2/c1-17-4-3-13-8(16)6-19-11-14-9(12)7-2-5-18-10(7)15-11/h2,5H,3-4,6H2,1H3,(H,13,16)(H2,12,14,15)
InChIKeyBRZUZJREKFKTNF-UHFFFAOYSA-N
MW298.39 g/mol
LogP1.13
Rot. Bonds6

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

2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2-methoxyethyl)acetamide (PubChem CID 60699011) has the molecular formula C11H14N4O2S2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2-methoxyethyl)acetamide
PubChem CID60699011
Molecular FormulaC11H14N4O2S2
Molecular Weight298.39 g/mol
Exact Mass298.06
IUPAC Name2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CSc1nc(N)c2ccsc2n1
InChIInChI=1S/C11H14N4O2S2/c1-17-4-3-13-8(16)6-19-11-14-9(12)7-2-5-18-10(7)15-11/h2,5H,3-4,6H2,1H3,(H,13,16)(H2,12,14,15)
InChIKeyBRZUZJREKFKTNF-UHFFFAOYSA-N
XLogP1.13
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.13
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-cyanoethyl)acetamide
CID 51264258
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-[(1R)-1-cyclopropylethyl]acetamide
CID 41192192
2-[2-(3-methoxypropoxy)ethylsulfanyl]thieno[2,3-d]pyrimidin-4-amine
CID 103180181
3-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(methylcarbamoyl)propanamide
CID 60728043
2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(3-methoxypropyl)acetamide
CID 39049485
2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 39012999
2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N,N-bis(prop-2-enyl)acetamide
CID 51264157
2-[(3-amino-4-pyridinyl)sulfanyl]-N-(2-methoxyethyl)acetamide
CID 43299918
N-(2-methoxyethyl)-2-(thieno[2,3-d]pyrimidin-4-ylamino)acetamide
CID 9453782
2-[(3-amino-2-pyridinyl)sulfanyl]-N-(2-methoxyethyl)acetamide
CID 43300619
2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[4-(4-benzylpiperazin-1-yl)phenyl]acetamide
CID 24622977

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2-methoxyethyl)acetamide (CID 60699011) is 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2-methoxyethyl)acetamide is COCCNC(=O)CSc1nc(N)c2ccsc2n1.
What is the InChIKey of 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2-methoxyethyl)acetamide?
The InChIKey is BRZUZJREKFKTNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S2/c1-17-4-3-13-8(16)6-19-11-14-9(12)7-2-5-18-10(7)15-11/h2,5H,3-4,6H2,1H3,(H,13,16)(H2,12,14,15).
What are the key properties of 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2-methoxyethyl)acetamide?
2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2-methoxyethyl)acetamide has a molecular weight of 298.39 g/mol, XLogP of 1.13, 6 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-methoxyethyl)acetamide is sourced from PubChem (CID 60699011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).