3-cyclopentyl-N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)propanamide

C16H21N3O2S — CID 53019404

IUPAC3-cyclopentyl-N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)propanamide
SMILESCc1nc2scc(C)n2c(=O)c1NC(=O)CCC1CCCC1
InChIInChI=1S/C16H21N3O2S/c1-10-9-22-16-17-11(2)14(15(21)19(10)16)18-13(20)8-7-12-5-3-4-6-12/h9,12H,3-8H2,1-2H3,(H,18,20)
InChIKeyDKFCHDJDVLULBH-UHFFFAOYSA-N
MW319.43 g/mol
LogP3.28
Rot. Bonds4

About 3-cyclopentyl-N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)propanamide

3-cyclopentyl-N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)propanamide (PubChem CID 53019404) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is 3-cyclopentyl-N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)propanamide
PubChem CID53019404
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC Name3-cyclopentyl-N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)propanamide
SMILESCc1nc2scc(C)n2c(=O)c1NC(=O)CCC1CCCC1
InChIInChI=1S/C16H21N3O2S/c1-10-9-22-16-17-11(2)14(15(21)19(10)16)18-13(20)8-7-12-5-3-4-6-12/h9,12H,3-8H2,1-2H3,(H,18,20)
InChIKeyDKFCHDJDVLULBH-UHFFFAOYSA-N
XLogP3.28
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)propanamide?
The IUPAC name of 3-cyclopentyl-N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)propanamide (CID 53019404) is 3-cyclopentyl-N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)propanamide.
What is the SMILES notation for 3-cyclopentyl-N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)propanamide?
The canonical SMILES for 3-cyclopentyl-N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)propanamide is Cc1nc2scc(C)n2c(=O)c1NC(=O)CCC1CCCC1.
What is the InChIKey of 3-cyclopentyl-N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)propanamide?
The InChIKey is DKFCHDJDVLULBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-10-9-22-16-17-11(2)14(15(21)19(10)16)18-13(20)8-7-12-5-3-4-6-12/h9,12H,3-8H2,1-2H3,(H,18,20).
What are the key properties of 3-cyclopentyl-N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)propanamide?
3-cyclopentyl-N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)propanamide has a molecular weight of 319.43 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)propanamide is sourced from PubChem (CID 53019404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).