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

C21H17ClN4OS2 — CID 3214102

IUPAC2-[[3-(4-chlorophenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl]-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)CSc1ncnc2c(-c3ccc(Cl)cc3)nsc12
InChIInChI=1S/C21H17ClN4OS2/c1-2-13-5-3-4-6-16(13)25-17(27)11-28-21-20-19(23-12-24-21)18(26-29-20)14-7-9-15(22)10-8-14/h3-10,12H,2,11H2,1H3,(H,25,27)
InChIKeyHYOUNAAVNZDRCW-UHFFFAOYSA-N
MW440.98 g/mol
LogP5.70
Rot. Bonds6

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

2-[[3-(4-chlorophenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl]-N-(2-ethylphenyl)acetamide (PubChem CID 3214102) has the molecular formula C21H17ClN4OS2 and a molecular weight of 440.98 g/mol. Its IUPAC name is 2-[[3-(4-chlorophenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl]-N-(2-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[[3-(4-chlorophenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl]-N-(2-ethylphenyl)acetamide
PubChem CID3214102
Molecular FormulaC21H17ClN4OS2
Molecular Weight440.98 g/mol
Exact Mass440.05
IUPAC Name2-[[3-(4-chlorophenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl]-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)CSc1ncnc2c(-c3ccc(Cl)cc3)nsc12
InChIInChI=1S/C21H17ClN4OS2/c1-2-13-5-3-4-6-16(13)25-17(27)11-28-21-20-19(23-12-24-21)18(26-29-20)14-7-9-15(22)10-8-14/h3-10,12H,2,11H2,1H3,(H,25,27)
InChIKeyHYOUNAAVNZDRCW-UHFFFAOYSA-N
XLogP5.70
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.98
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-ethylphenyl)-2-[[3-(4-fluorophenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl]acetamide
CID 1150048
N-(2-ethylphenyl)-2-[[3-(4-methoxyphenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl]acetamide
CID 1153106
2-[[3-(4-chlorophenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl]-N-(2-methoxyphenyl)acetamide
CID 1453057
N-(2-fluorophenyl)-2-[[3-(4-methoxyphenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl]acetamide
CID 4987567
2-[[3-(4-chlorophenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 3214111
N-(5-chloro-2-methoxyphenyl)-2-[[3-(4-methoxyphenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl]acetamide
CID 1453039
2-[[3-(4-chlorophenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl]-N-(2-methoxyethyl)acetamide
CID 3214109
N-(2,5-dimethylphenyl)-2-[[3-(4-fluorophenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl]acetamide
CID 1150054
7-benzylsulfanyl-3-(4-chlorophenyl)-[1,2]thiazolo[4,5-d]pyrimidine
CID 3213182
N-(2,5-diethoxyphenyl)-2-[[3-(4-methoxyphenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl]acetamide
CID 1153131
N-benzyl-2-[(3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)sulfanyl]acetamide
CID 43812738
N-(4-ethoxyphenyl)-2-[[3-(4-methoxyphenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl]acetamide
CID 5207443

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-ethylphenyl)acetamide?
The IUPAC name of 2-[[3-(4-chlorophenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl]-N-(2-ethylphenyl)acetamide (CID 3214102) is 2-[[3-(4-chlorophenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl]-N-(2-ethylphenyl)acetamide.
What is the SMILES notation for 2-[[3-(4-chlorophenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl]-N-(2-ethylphenyl)acetamide?
The canonical SMILES for 2-[[3-(4-chlorophenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl]-N-(2-ethylphenyl)acetamide is CCc1ccccc1NC(=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-ethylphenyl)acetamide?
The InChIKey is HYOUNAAVNZDRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4OS2/c1-2-13-5-3-4-6-16(13)25-17(27)11-28-21-20-19(23-12-24-21)18(26-29-20)14-7-9-15(22)10-8-14/h3-10,12H,2,11H2,1H3,(H,25,27).
What are the key properties of 2-[[3-(4-chlorophenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl]-N-(2-ethylphenyl)acetamide?
2-[[3-(4-chlorophenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl]-N-(2-ethylphenyl)acetamide has a molecular weight of 440.98 g/mol, XLogP of 5.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 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-ethylphenyl)acetamide is sourced from PubChem (CID 3214102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).