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

C10H13N3O2S — CID 5020022

IUPAC5-oxo-N-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCCNC(=O)c1cnc2n(c1=O)CCS2
InChIInChI=1S/C10H13N3O2S/c1-2-3-11-8(14)7-6-12-10-13(9(7)15)4-5-16-10/h6H,2-5H2,1H3,(H,11,14)
InChIKeyXHXGHFWJPWBEOP-UHFFFAOYSA-N
MW239.30 g/mol
LogP0.49
Rot. Bonds3

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

5-oxo-N-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 5020022) has the molecular formula C10H13N3O2S and a molecular weight of 239.30 g/mol. Its IUPAC name is 5-oxo-N-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-oxo-N-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID5020022
Molecular FormulaC10H13N3O2S
Molecular Weight239.30 g/mol
Exact Mass239.07
IUPAC Name5-oxo-N-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCCNC(=O)c1cnc2n(c1=O)CCS2
InChIInChI=1S/C10H13N3O2S/c1-2-3-11-8(14)7-6-12-10-13(9(7)15)4-5-16-10/h6H,2-5H2,1H3,(H,11,14)
InChIKeyXHXGHFWJPWBEOP-UHFFFAOYSA-N
XLogP0.49
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 5-oxo-N-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 5020022) is 5-oxo-N-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-oxo-N-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 5-oxo-N-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CCCNC(=O)c1cnc2n(c1=O)CCS2.
What is the InChIKey of 5-oxo-N-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is XHXGHFWJPWBEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2S/c1-2-3-11-8(14)7-6-12-10-13(9(7)15)4-5-16-10/h6H,2-5H2,1H3,(H,11,14).
What are the key properties of 5-oxo-N-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
5-oxo-N-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 239.30 g/mol, XLogP of 0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 5020022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).