2-[[3-(4-chlorophenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl]-N-(2-methoxyethyl)acetamide

C16H15ClN4O2S2 — CID 3214109

IUPAC2-[[3-(4-chlorophenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CSc1ncnc2c(-c3ccc(Cl)cc3)nsc12
InChIInChI=1S/C16H15ClN4O2S2/c1-23-7-6-18-12(22)8-24-16-15-14(19-9-20-16)13(21-25-15)10-2-4-11(17)5-3-10/h2-5,9H,6-8H2,1H3,(H,18,22)
InChIKeyQAHXCPSFCKYGDW-UHFFFAOYSA-N
MW394.91 g/mol
LogP3.26
Rot. Bonds7

About 2-[[3-(4-chlorophenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl]-N-(2-methoxyethyl)acetamide

2-[[3-(4-chlorophenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl]-N-(2-methoxyethyl)acetamide (PubChem CID 3214109) has the molecular formula C16H15ClN4O2S2 and a molecular weight of 394.91 g/mol. Its IUPAC name is 2-[[3-(4-chlorophenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[[3-(4-chlorophenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl]-N-(2-methoxyethyl)acetamide
PubChem CID3214109
Molecular FormulaC16H15ClN4O2S2
Molecular Weight394.91 g/mol
Exact Mass394.03
IUPAC Name2-[[3-(4-chlorophenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CSc1ncnc2c(-c3ccc(Cl)cc3)nsc12
InChIInChI=1S/C16H15ClN4O2S2/c1-23-7-6-18-12(22)8-24-16-15-14(19-9-20-16)13(21-25-15)10-2-4-11(17)5-3-10/h2-5,9H,6-8H2,1H3,(H,18,22)
InChIKeyQAHXCPSFCKYGDW-UHFFFAOYSA-N
XLogP3.26
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.91
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-chlorophenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[[3-(4-chlorophenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl]-N-(2-methoxyethyl)acetamide (CID 3214109) is 2-[[3-(4-chlorophenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[[3-(4-chlorophenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[[3-(4-chlorophenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl]-N-(2-methoxyethyl)acetamide is COCCNC(=O)CSc1ncnc2c(-c3ccc(Cl)cc3)nsc12.
What is the InChIKey of 2-[[3-(4-chlorophenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl]-N-(2-methoxyethyl)acetamide?
The InChIKey is QAHXCPSFCKYGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O2S2/c1-23-7-6-18-12(22)8-24-16-15-14(19-9-20-16)13(21-25-15)10-2-4-11(17)5-3-10/h2-5,9H,6-8H2,1H3,(H,18,22).
What are the key properties of 2-[[3-(4-chlorophenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl]-N-(2-methoxyethyl)acetamide?
2-[[3-(4-chlorophenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl]-N-(2-methoxyethyl)acetamide has a molecular weight of 394.91 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-chlorophenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 3214109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).