N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C19H19ClN4O3S — CID 51659248

IUPACN-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(NC[C@@H](c1ccccc1Cl)N1CCOCC1)c1cnc2sccn2c1=O
InChIInChI=1S/C19H19ClN4O3S/c20-15-4-2-1-3-13(15)16(23-5-8-27-9-6-23)12-21-17(25)14-11-22-19-24(18(14)26)7-10-28-19/h1-4,7,10-11,16H,5-6,8-9,12H2,(H,21,25)/t16-/m0/s1
InChIKeySYUFKTNGMBDKPZ-INIZCTEOSA-N
MW418.91 g/mol
LogP2.21
Rot. Bonds5

About N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 51659248) has the molecular formula C19H19ClN4O3S and a molecular weight of 418.91 g/mol. Its IUPAC name is N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID51659248
Molecular FormulaC19H19ClN4O3S
Molecular Weight418.91 g/mol
Exact Mass418.09
IUPAC NameN-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(NC[C@@H](c1ccccc1Cl)N1CCOCC1)c1cnc2sccn2c1=O
InChIInChI=1S/C19H19ClN4O3S/c20-15-4-2-1-3-13(15)16(23-5-8-27-9-6-23)12-21-17(25)14-11-22-19-24(18(14)26)7-10-28-19/h1-4,7,10-11,16H,5-6,8-9,12H2,(H,21,25)/t16-/m0/s1
InChIKeySYUFKTNGMBDKPZ-INIZCTEOSA-N
XLogP2.21
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.91
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 94173415
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 55712867
N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]pyridine-4-carboxamide
CID 37050347
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 60509787
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 55610163
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2,4-dimethylbenzamide
CID 46412391
5-bromo-N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide
CID 39588961
5-(4-chlorophenyl)-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1H-pyrazole-4-carboxamide
CID 55635550
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4-pyrrol-1-ylbenzamide
CID 55609911
5-oxo-N-(2-thiophen-2-ylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 46556227
2-bromo-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-5-methoxybenzamide
CID 55609908
N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-(cyanomethylsulfanyl)benzamide
CID 51938682

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 51659248) is N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is O=C(NC[C@@H](c1ccccc1Cl)N1CCOCC1)c1cnc2sccn2c1=O.
What is the InChIKey of N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is SYUFKTNGMBDKPZ-INIZCTEOSA-N. The full InChI is InChI=1S/C19H19ClN4O3S/c20-15-4-2-1-3-13(15)16(23-5-8-27-9-6-23)12-21-17(25)14-11-22-19-24(18(14)26)7-10-28-19/h1-4,7,10-11,16H,5-6,8-9,12H2,(H,21,25)/t16-/m0/s1.
What are the key properties of N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 418.91 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 51659248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).