2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-pyridin-3-ylacetamide

C16H18N4O2S — CID 16868734

IUPAC2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-pyridin-3-ylacetamide
SMILESCC(C)c1cc(=O)n2c(n1)SCC2CC(=O)Nc1cccnc1
InChIInChI=1S/C16H18N4O2S/c1-10(2)13-7-15(22)20-12(9-23-16(20)19-13)6-14(21)18-11-4-3-5-17-8-11/h3-5,7-8,10,12H,6,9H2,1-2H3,(H,18,21)
InChIKeyPSGCWBYYSMSPDU-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.44
Rot. Bonds4

About 2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-pyridin-3-ylacetamide

2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-pyridin-3-ylacetamide (PubChem CID 16868734) has the molecular formula C16H18N4O2S and a molecular weight of 330.41 g/mol. Its IUPAC name is 2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-pyridin-3-ylacetamide
PubChem CID16868734
Molecular FormulaC16H18N4O2S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC Name2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-pyridin-3-ylacetamide
SMILESCC(C)c1cc(=O)n2c(n1)SCC2CC(=O)Nc1cccnc1
InChIInChI=1S/C16H18N4O2S/c1-10(2)13-7-15(22)20-12(9-23-16(20)19-13)6-14(21)18-11-4-3-5-17-8-11/h3-5,7-8,10,12H,6,9H2,1-2H3,(H,18,21)
InChIKeyPSGCWBYYSMSPDU-UHFFFAOYSA-N
XLogP2.44
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-pyridin-3-ylacetamide
CID 16868544
N-(4-acetylphenyl)-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
CID 16868690
methyl 4-[[2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]amino]benzoate
CID 16868693
N-(3-fluoro-4-methylphenyl)-2-[(3R)-5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide
CID 42065639
N-(1,2-oxazol-3-yl)-2-[(3S)-5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide
CID 51530524
2-[(3S)-5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 51530516
N-[(2,6-difluorophenyl)methyl]-2-[(3R)-5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide
CID 42065655
N-(5-chloro-2-methoxyphenyl)-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
CID 16868728
2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(4-ethylphenyl)acetamide
CID 16868288
N-(4-bromophenyl)-2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
CID 16868298
2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3,3,5-trimethylcyclohexyl)acetamide
CID 16868630
N-(4-ethylphenyl)-2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
CID 16867941

Frequently Asked Questions

What is the IUPAC name of 2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-pyridin-3-ylacetamide?
The IUPAC name of 2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-pyridin-3-ylacetamide (CID 16868734) is 2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-pyridin-3-ylacetamide.
What is the SMILES notation for 2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-pyridin-3-ylacetamide?
The canonical SMILES for 2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-pyridin-3-ylacetamide is CC(C)c1cc(=O)n2c(n1)SCC2CC(=O)Nc1cccnc1.
What is the InChIKey of 2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-pyridin-3-ylacetamide?
The InChIKey is PSGCWBYYSMSPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2S/c1-10(2)13-7-15(22)20-12(9-23-16(20)19-13)6-14(21)18-11-4-3-5-17-8-11/h3-5,7-8,10,12H,6,9H2,1-2H3,(H,18,21).
What are the key properties of 2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-pyridin-3-ylacetamide?
2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-pyridin-3-ylacetamide has a molecular weight of 330.41 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-pyridin-3-ylacetamide is sourced from PubChem (CID 16868734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).