N-(oxolan-2-ylmethyl)-2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide

C16H23N3O3S — CID 16868442

IUPACN-(oxolan-2-ylmethyl)-2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
SMILESCCCc1cc(=O)n2c(n1)SCC2CC(=O)NCC1CCCO1
InChIInChI=1S/C16H23N3O3S/c1-2-4-11-7-15(21)19-12(10-23-16(19)18-11)8-14(20)17-9-13-5-3-6-22-13/h7,12-13H,2-6,8-10H2,1H3,(H,17,20)
InChIKeyGVDFKUMHAFZUTP-UHFFFAOYSA-N
MW337.45 g/mol
LogP1.53
Rot. Bonds6

About N-(oxolan-2-ylmethyl)-2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide

N-(oxolan-2-ylmethyl)-2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide (PubChem CID 16868442) has the molecular formula C16H23N3O3S and a molecular weight of 337.45 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
PubChem CID16868442
Molecular FormulaC16H23N3O3S
Molecular Weight337.45 g/mol
Exact Mass337.15
IUPAC NameN-(oxolan-2-ylmethyl)-2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
SMILESCCCc1cc(=O)n2c(n1)SCC2CC(=O)NCC1CCCO1
InChIInChI=1S/C16H23N3O3S/c1-2-4-11-7-15(21)19-12(10-23-16(19)18-11)8-14(20)17-9-13-5-3-6-22-13/h7,12-13H,2-6,8-10H2,1H3,(H,17,20)
InChIKeyGVDFKUMHAFZUTP-UHFFFAOYSA-N
XLogP1.53
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide (CID 16868442) is N-(oxolan-2-ylmethyl)-2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide is CCCc1cc(=O)n2c(n1)SCC2CC(=O)NCC1CCCO1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?
The InChIKey is GVDFKUMHAFZUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3S/c1-2-4-11-7-15(21)19-12(10-23-16(19)18-11)8-14(20)17-9-13-5-3-6-22-13/h7,12-13H,2-6,8-10H2,1H3,(H,17,20).
What are the key properties of N-(oxolan-2-ylmethyl)-2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?
N-(oxolan-2-ylmethyl)-2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide has a molecular weight of 337.45 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 16868442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).