N-cyclopentyl-N-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C13H17N3O2S — CID 47126326

IUPACN-cyclopentyl-N-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCN(C(=O)c1cnc2n(c1=O)CCS2)C1CCCC1
InChIInChI=1S/C13H17N3O2S/c1-15(9-4-2-3-5-9)11(17)10-8-14-13-16(12(10)18)6-7-19-13/h8-9H,2-7H2,1H3
InChIKeyDWUODYHNFGJJFG-UHFFFAOYSA-N
MW279.36 g/mol
LogP1.36
Rot. Bonds2

About N-cyclopentyl-N-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

N-cyclopentyl-N-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 47126326) has the molecular formula C13H17N3O2S and a molecular weight of 279.36 g/mol. Its IUPAC name is N-cyclopentyl-N-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-N-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID47126326
Molecular FormulaC13H17N3O2S
Molecular Weight279.36 g/mol
Exact Mass279.10
IUPAC NameN-cyclopentyl-N-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCN(C(=O)c1cnc2n(c1=O)CCS2)C1CCCC1
InChIInChI=1S/C13H17N3O2S/c1-15(9-4-2-3-5-9)11(17)10-8-14-13-16(12(10)18)6-7-19-13/h8-9H,2-7H2,1H3
InChIKeyDWUODYHNFGJJFG-UHFFFAOYSA-N
XLogP1.36
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-cyclopentyl-N-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 47126326) is N-cyclopentyl-N-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-cyclopentyl-N-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-cyclopentyl-N-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CN(C(=O)c1cnc2n(c1=O)CCS2)C1CCCC1.
What is the InChIKey of N-cyclopentyl-N-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is DWUODYHNFGJJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-15(9-4-2-3-5-9)11(17)10-8-14-13-16(12(10)18)6-7-19-13/h8-9H,2-7H2,1H3.
What are the key properties of N-cyclopentyl-N-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-cyclopentyl-N-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 279.36 g/mol, XLogP of 1.36, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 47126326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).