N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C15H13N3O4S — CID 4130088

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1cnc2n(c1=O)CCS2
InChIInChI=1S/C15H13N3O4S/c19-13(10-8-16-15-18(14(10)20)3-6-23-15)17-9-1-2-11-12(7-9)22-5-4-21-11/h1-2,7-8H,3-6H2,(H,17,19)
InChIKeyLRLHJXGEWZKWSM-UHFFFAOYSA-N
MW331.35 g/mol
LogP1.37
Rot. Bonds2

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 4130088) has the molecular formula C15H13N3O4S and a molecular weight of 331.35 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID4130088
Molecular FormulaC15H13N3O4S
Molecular Weight331.35 g/mol
Exact Mass331.06
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1cnc2n(c1=O)CCS2
InChIInChI=1S/C15H13N3O4S/c19-13(10-8-16-15-18(14(10)20)3-6-23-15)17-9-1-2-11-12(7-9)22-5-4-21-11/h1-2,7-8H,3-6H2,(H,17,19)
InChIKeyLRLHJXGEWZKWSM-UHFFFAOYSA-N
XLogP1.37
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 4130088) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is O=C(Nc1ccc2c(c1)OCCO2)c1cnc2n(c1=O)CCS2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is LRLHJXGEWZKWSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O4S/c19-13(10-8-16-15-18(14(10)20)3-6-23-15)17-9-1-2-11-12(7-9)22-5-4-21-11/h1-2,7-8H,3-6H2,(H,17,19).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 331.35 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 4130088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).