N-(4-ethoxyphenyl)-2-[4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]propanamide

C22H27N5O3S — CID 112798959

IUPACN-(4-ethoxyphenyl)-2-[4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]propanamide
SMILESCCOc1ccc(NC(=O)C(C)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)cc1
InChIInChI=1S/C22H27N5O3S/c1-3-30-19-6-4-17(5-7-19)23-21(29)16(2)26-10-8-25(9-11-26)15-18-14-20(28)27-12-13-31-22(27)24-18/h4-7,12-14,16H,3,8-11,15H2,1-2H3,(H,23,29)
InChIKeyAESKEPSYDRAIMU-UHFFFAOYSA-N
MW441.56 g/mol
LogP2.30
Rot. Bonds7

About N-(4-ethoxyphenyl)-2-[4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]propanamide

N-(4-ethoxyphenyl)-2-[4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]propanamide (PubChem CID 112798959) has the molecular formula C22H27N5O3S and a molecular weight of 441.56 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-[4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-[4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]propanamide
PubChem CID112798959
Molecular FormulaC22H27N5O3S
Molecular Weight441.56 g/mol
Exact Mass441.18
IUPAC NameN-(4-ethoxyphenyl)-2-[4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]propanamide
SMILESCCOc1ccc(NC(=O)C(C)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)cc1
InChIInChI=1S/C22H27N5O3S/c1-3-30-19-6-4-17(5-7-19)23-21(29)16(2)26-10-8-25(9-11-26)15-18-14-20(28)27-12-13-31-22(27)24-18/h4-7,12-14,16H,3,8-11,15H2,1-2H3,(H,23,29)
InChIKeyAESKEPSYDRAIMU-UHFFFAOYSA-N
XLogP2.30
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.56
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(3,4-dimethylphenyl)-2-[4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]propanamide
CID 112811207
N-(2-chlorophenyl)-2-[4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]propanamide
CID 112798956
7-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 42912158
N-(4-ethoxyphenyl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propanamide
CID 55432378
7-[[4-(3-chloro-6-ethoxypyridine-2-carbonyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 60572281
7-[[4-(2-phenoxypropanoyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 46656494
7-[[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 79410044
N-[4-[4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazine-1-carbonyl]phenyl]benzamide
CID 46632626
4-[[2-oxo-2-[4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]ethyl]amino]benzonitrile
CID 60563250
N-[(2S)-3-methyl-1-oxo-1-[4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]butan-2-yl]-2-phenylacetamide
CID 55935033
(2R)-N-(4-ethoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 9446065
7-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 51245920

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-[4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]propanamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-[4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]propanamide (CID 112798959) is N-(4-ethoxyphenyl)-2-[4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]propanamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-[4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]propanamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-[4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]propanamide is CCOc1ccc(NC(=O)C(C)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-[4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]propanamide?
The InChIKey is AESKEPSYDRAIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O3S/c1-3-30-19-6-4-17(5-7-19)23-21(29)16(2)26-10-8-25(9-11-26)15-18-14-20(28)27-12-13-31-22(27)24-18/h4-7,12-14,16H,3,8-11,15H2,1-2H3,(H,23,29).
What are the key properties of N-(4-ethoxyphenyl)-2-[4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]propanamide?
N-(4-ethoxyphenyl)-2-[4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]propanamide has a molecular weight of 441.56 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-[4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 112798959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).