3-cyclopentyl-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]propanamide

C17H23N3O2S — CID 90508348

IUPAC3-cyclopentyl-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]propanamide
SMILESCc1cc(=O)n2c(CCNC(=O)CCC3CCCC3)csc2n1
InChIInChI=1S/C17H23N3O2S/c1-12-10-16(22)20-14(11-23-17(20)19-12)8-9-18-15(21)7-6-13-4-2-3-5-13/h10-11,13H,2-9H2,1H3,(H,18,21)
InChIKeyRSOZDRNVVSIBQR-UHFFFAOYSA-N
MW333.46 g/mol
LogP2.69
Rot. Bonds6

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

3-cyclopentyl-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]propanamide (PubChem CID 90508348) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is 3-cyclopentyl-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]propanamide
PubChem CID90508348
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC Name3-cyclopentyl-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]propanamide
SMILESCc1cc(=O)n2c(CCNC(=O)CCC3CCCC3)csc2n1
InChIInChI=1S/C17H23N3O2S/c1-12-10-16(22)20-14(11-23-17(20)19-12)8-9-18-15(21)7-6-13-4-2-3-5-13/h10-11,13H,2-9H2,1H3,(H,18,21)
InChIKeyRSOZDRNVVSIBQR-UHFFFAOYSA-N
XLogP2.69
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]propanamide?
The IUPAC name of 3-cyclopentyl-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]propanamide (CID 90508348) is 3-cyclopentyl-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]propanamide.
What is the SMILES notation for 3-cyclopentyl-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]propanamide?
The canonical SMILES for 3-cyclopentyl-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]propanamide is Cc1cc(=O)n2c(CCNC(=O)CCC3CCCC3)csc2n1.
What is the InChIKey of 3-cyclopentyl-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]propanamide?
The InChIKey is RSOZDRNVVSIBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-12-10-16(22)20-14(11-23-17(20)19-12)8-9-18-15(21)7-6-13-4-2-3-5-13/h10-11,13H,2-9H2,1H3,(H,18,21).
What are the key properties of 3-cyclopentyl-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]propanamide?
3-cyclopentyl-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]propanamide has a molecular weight of 333.46 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]propanamide is sourced from PubChem (CID 90508348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).