N-(5-methyl-1,2-oxazol-3-yl)-3-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)propanamide

C17H20N6O2S — CID 86923353

IUPACN-(5-methyl-1,2-oxazol-3-yl)-3-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)propanamide
SMILESCc1cc(NC(=O)CCN2CCN(c3ncnc4sccc34)CC2)no1
InChIInChI=1S/C17H20N6O2S/c1-12-10-14(21-25-12)20-15(24)2-4-22-5-7-23(8-6-22)16-13-3-9-26-17(13)19-11-18-16/h3,9-11H,2,4-8H2,1H3,(H,20,21,24)
InChIKeyHVZYRAVESVXWDA-UHFFFAOYSA-N
MW372.45 g/mol
LogP2.14
Rot. Bonds5

About N-(5-methyl-1,2-oxazol-3-yl)-3-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)propanamide

N-(5-methyl-1,2-oxazol-3-yl)-3-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)propanamide (PubChem CID 86923353) has the molecular formula C17H20N6O2S and a molecular weight of 372.45 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-3-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-3-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)propanamide
PubChem CID86923353
Molecular FormulaC17H20N6O2S
Molecular Weight372.45 g/mol
Exact Mass372.14
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-3-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)propanamide
SMILESCc1cc(NC(=O)CCN2CCN(c3ncnc4sccc34)CC2)no1
InChIInChI=1S/C17H20N6O2S/c1-12-10-14(21-25-12)20-15(24)2-4-22-5-7-23(8-6-22)16-13-3-9-26-17(13)19-11-18-16/h3,9-11H,2,4-8H2,1H3,(H,20,21,24)
InChIKeyHVZYRAVESVXWDA-UHFFFAOYSA-N
XLogP2.14
TPSA87.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(methylcarbamoyl)-3-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)propanamide
CID 86931052
N-(2-methyl-4-nitrophenyl)-3-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)propanamide
CID 78848820
2-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 31540361
N-(5-methyl-1,2-oxazol-3-yl)-3-(4-phenylpiperazin-1-yl)propanamide
CID 707006
N-(5-methyl-1,2-oxazol-3-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide
CID 2406271
3-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 134031904
3-[4-(4-chlorophenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 729690
N-(5-methyl-1,2-oxazol-3-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 35799420
N-(4-ethoxyphenyl)-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)acetamide
CID 78846993
N-(5-methyl-1,2-oxazol-3-yl)-3-[4-(2-phenoxyethyl)piperazin-1-yl]propanamide
CID 78792894
2-(4-thieno[2,3-d]pyrimidin-4-yl-1,4-diazepan-1-yl)ethanol
CID 63309935
methyl 2-methyl-5-[(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methyl]furan-3-carboxylate
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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-3-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)propanamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-3-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)propanamide (CID 86923353) is N-(5-methyl-1,2-oxazol-3-yl)-3-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-3-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)propanamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-3-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)propanamide is Cc1cc(NC(=O)CCN2CCN(c3ncnc4sccc34)CC2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-3-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)propanamide?
The InChIKey is HVZYRAVESVXWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2S/c1-12-10-14(21-25-12)20-15(24)2-4-22-5-7-23(8-6-22)16-13-3-9-26-17(13)19-11-18-16/h3,9-11H,2,4-8H2,1H3,(H,20,21,24).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-3-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)propanamide?
N-(5-methyl-1,2-oxazol-3-yl)-3-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)propanamide has a molecular weight of 372.45 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-3-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)propanamide is sourced from PubChem (CID 86923353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).