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

C11H15N3O4S — CID 23994569

IUPACN-(2,2-dimethoxyethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCOC(CNC(=O)c1cnc2n(c1=O)CCS2)OC
InChIInChI=1S/C11H15N3O4S/c1-17-8(18-2)6-12-9(15)7-5-13-11-14(10(7)16)3-4-19-11/h5,8H,3-4,6H2,1-2H3,(H,12,15)
InChIKeyADXFDJSYMFCRIX-UHFFFAOYSA-N
MW285.32 g/mol
LogP-0.30
Rot. Bonds5

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

N-(2,2-dimethoxyethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 23994569) has the molecular formula C11H15N3O4S and a molecular weight of 285.32 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID23994569
Molecular FormulaC11H15N3O4S
Molecular Weight285.32 g/mol
Exact Mass285.08
IUPAC NameN-(2,2-dimethoxyethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCOC(CNC(=O)c1cnc2n(c1=O)CCS2)OC
InChIInChI=1S/C11H15N3O4S/c1-17-8(18-2)6-12-9(15)7-5-13-11-14(10(7)16)3-4-19-11/h5,8H,3-4,6H2,1-2H3,(H,12,15)
InChIKeyADXFDJSYMFCRIX-UHFFFAOYSA-N
XLogP-0.30
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(2,2-dimethoxyethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 23994569) is N-(2,2-dimethoxyethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(2,2-dimethoxyethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is COC(CNC(=O)c1cnc2n(c1=O)CCS2)OC.
What is the InChIKey of N-(2,2-dimethoxyethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is ADXFDJSYMFCRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4S/c1-17-8(18-2)6-12-9(15)7-5-13-11-14(10(7)16)3-4-19-11/h5,8H,3-4,6H2,1-2H3,(H,12,15).
What are the key properties of N-(2,2-dimethoxyethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-(2,2-dimethoxyethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 285.32 g/mol, XLogP of -0.30, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 23994569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).