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

C14H17N3O2S — CID 16933555

IUPACN-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)cyclopentanecarboxamide
SMILESCc1nc2scc(C)n2c(=O)c1NC(=O)C1CCCC1
InChIInChI=1S/C14H17N3O2S/c1-8-7-20-14-15-9(2)11(13(19)17(8)14)16-12(18)10-5-3-4-6-10/h7,10H,3-6H2,1-2H3,(H,16,18)
InChIKeyFWPCOSFHUGWQAZ-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.50
Rot. Bonds2

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

N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)cyclopentanecarboxamide (PubChem CID 16933555) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)cyclopentanecarboxamide.

Molecular Properties

Compound NameN-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)cyclopentanecarboxamide
PubChem CID16933555
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC NameN-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)cyclopentanecarboxamide
SMILESCc1nc2scc(C)n2c(=O)c1NC(=O)C1CCCC1
InChIInChI=1S/C14H17N3O2S/c1-8-7-20-14-15-9(2)11(13(19)17(8)14)16-12(18)10-5-3-4-6-10/h7,10H,3-6H2,1-2H3,(H,16,18)
InChIKeyFWPCOSFHUGWQAZ-UHFFFAOYSA-N
XLogP2.50
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)cyclopentanecarboxamide?
The IUPAC name of N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)cyclopentanecarboxamide (CID 16933555) is N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)cyclopentanecarboxamide.
What is the SMILES notation for N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)cyclopentanecarboxamide?
The canonical SMILES for N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)cyclopentanecarboxamide is Cc1nc2scc(C)n2c(=O)c1NC(=O)C1CCCC1.
What is the InChIKey of N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)cyclopentanecarboxamide?
The InChIKey is FWPCOSFHUGWQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-8-7-20-14-15-9(2)11(13(19)17(8)14)16-12(18)10-5-3-4-6-10/h7,10H,3-6H2,1-2H3,(H,16,18).
What are the key properties of N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)cyclopentanecarboxamide?
N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)cyclopentanecarboxamide has a molecular weight of 291.38 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)cyclopentanecarboxamide is sourced from PubChem (CID 16933555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).