2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide

C18H22N4O2S — CID 53264892

IUPAC2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide
SMILESO=C(CC1SC2=NCCCN2C1=O)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C18H22N4O2S/c23-16(12-15-17(24)22-11-3-8-19-18(22)25-15)20-13-4-6-14(7-5-13)21-9-1-2-10-21/h4-7,15H,1-3,8-12H2,(H,20,23)
InChIKeyACNDCJVADKMAJK-UHFFFAOYSA-N
MW358.47 g/mol
LogP2.32
Rot. Bonds4

About 2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide

2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide (PubChem CID 53264892) has the molecular formula C18H22N4O2S and a molecular weight of 358.47 g/mol. Its IUPAC name is 2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide
PubChem CID53264892
Molecular FormulaC18H22N4O2S
Molecular Weight358.47 g/mol
Exact Mass358.15
IUPAC Name2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide
SMILESO=C(CC1SC2=NCCCN2C1=O)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C18H22N4O2S/c23-16(12-15-17(24)22-11-3-8-19-18(22)25-15)20-13-4-6-14(7-5-13)21-9-1-2-10-21/h4-7,15H,1-3,8-12H2,(H,20,23)
InChIKeyACNDCJVADKMAJK-UHFFFAOYSA-N
XLogP2.32
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(diethylamino)phenyl]-2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)acetamide
CID 53264964
methyl 4-[[2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)acetyl]amino]benzoate
CID 53264941
N-(3,5-dimethylphenyl)-2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)acetamide
CID 53264916
N-(4-fluorophenyl)-2-[(2R)-3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]acetamide
CID 28976953
N-(4-methoxyphenyl)-2-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl)acetamide
CID 2951375
2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 53264943
N-methyl-2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)acetamide
CID 53264948
N-(3-chloro-2-methylphenyl)-2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)acetamide
CID 53264908
N-(2-methoxyphenyl)-2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)acetamide
CID 53264873
2-hydroxy-5-[[2-[(2R)-3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]acetyl]amino]benzoic acid
CID 27404541
2-hydroxy-4-[[2-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl)acetyl]amino]benzoic acid
CID 43826898
methyl 4,5-dimethyl-2-[[2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)acetyl]amino]thiophene-3-carboxylate
CID 53264928

Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The IUPAC name of 2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide (CID 53264892) is 2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide is O=C(CC1SC2=NCCCN2C1=O)Nc1ccc(N2CCCC2)cc1.
What is the InChIKey of 2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The InChIKey is ACNDCJVADKMAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2S/c23-16(12-15-17(24)22-11-3-8-19-18(22)25-15)20-13-4-6-14(7-5-13)21-9-1-2-10-21/h4-7,15H,1-3,8-12H2,(H,20,23).
What are the key properties of 2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide?
2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide has a molecular weight of 358.47 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide is sourced from PubChem (CID 53264892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).