2-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C18H22N6O2S — CID 31540361

IUPAC2-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCCc1cc2c(N3CCN(CC(=O)Nc4cc(C)on4)CC3)ncnc2s1
InChIInChI=1S/C18H22N6O2S/c1-3-13-9-14-17(19-11-20-18(14)27-13)24-6-4-23(5-7-24)10-16(25)21-15-8-12(2)26-22-15/h8-9,11H,3-7,10H2,1-2H3,(H,21,22,25)
InChIKeyAQYJSQCISLXGJW-UHFFFAOYSA-N
MW386.48 g/mol
LogP2.31
Rot. Bonds5

About 2-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 31540361) has the molecular formula C18H22N6O2S and a molecular weight of 386.48 g/mol. Its IUPAC name is 2-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID31540361
Molecular FormulaC18H22N6O2S
Molecular Weight386.48 g/mol
Exact Mass386.15
IUPAC Name2-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCCc1cc2c(N3CCN(CC(=O)Nc4cc(C)on4)CC3)ncnc2s1
InChIInChI=1S/C18H22N6O2S/c1-3-13-9-14-17(19-11-20-18(14)27-13)24-6-4-23(5-7-24)10-16(25)21-15-8-12(2)26-22-15/h8-9,11H,3-7,10H2,1-2H3,(H,21,22,25)
InChIKeyAQYJSQCISLXGJW-UHFFFAOYSA-N
XLogP2.31
TPSA87.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-cyclopropyl-2-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide
CID 31539436
2-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 131960468
N-(5-methyl-1,2-oxazol-3-yl)-3-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)propanamide
CID 86923353
4-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine
CID 133487158
2-[4-(5-fluoroquinazolin-4-yl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 60520975
2-[4-[2-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 60505092
2-[4-(9-cyclopropylpurin-6-yl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 136544627
N-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-3-methyl-1,2-oxazole-5-carboxamide
CID 47089198
2-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 136534184
N-cyclopropyl-2-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide
CID 133407949
4-(azepan-1-yl)-6-ethylthieno[2,3-d]pyrimidine;hydrochloride
CID 2837431
6-ethyl-4-(4-methylsulfonylpiperazin-1-yl)thieno[2,3-d]pyrimidine
CID 21062788

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 31540361) is 2-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is CCc1cc2c(N3CCN(CC(=O)Nc4cc(C)on4)CC3)ncnc2s1.
What is the InChIKey of 2-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is AQYJSQCISLXGJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O2S/c1-3-13-9-14-17(19-11-20-18(14)27-13)24-6-4-23(5-7-24)10-16(25)21-15-8-12(2)26-22-15/h8-9,11H,3-7,10H2,1-2H3,(H,21,22,25).
What are the key properties of 2-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 386.48 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 31540361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).