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

C14H19N3O2S — CID 87045818

IUPACN-cyclopentyl-N-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCN(C(=O)c1cnc2n(c1=O)CCS2)C1CCCC1
InChIInChI=1S/C14H19N3O2S/c1-2-16(10-5-3-4-6-10)12(18)11-9-15-14-17(13(11)19)7-8-20-14/h9-10H,2-8H2,1H3
InChIKeyXXNRRFQNSUOJMJ-UHFFFAOYSA-N
MW293.39 g/mol
LogP1.75
Rot. Bonds3

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

N-cyclopentyl-N-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 87045818) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is N-cyclopentyl-N-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-N-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID87045818
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC NameN-cyclopentyl-N-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCN(C(=O)c1cnc2n(c1=O)CCS2)C1CCCC1
InChIInChI=1S/C14H19N3O2S/c1-2-16(10-5-3-4-6-10)12(18)11-9-15-14-17(13(11)19)7-8-20-14/h9-10H,2-8H2,1H3
InChIKeyXXNRRFQNSUOJMJ-UHFFFAOYSA-N
XLogP1.75
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-cyclopentyl-N-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 87045818) is N-cyclopentyl-N-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-cyclopentyl-N-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-cyclopentyl-N-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CCN(C(=O)c1cnc2n(c1=O)CCS2)C1CCCC1.
What is the InChIKey of N-cyclopentyl-N-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is XXNRRFQNSUOJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-2-16(10-5-3-4-6-10)12(18)11-9-15-14-17(13(11)19)7-8-20-14/h9-10H,2-8H2,1H3.
What are the key properties of N-cyclopentyl-N-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-cyclopentyl-N-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 293.39 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 87045818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).