3-tert-butyl-5-oxo-N-propan-2-yloxy-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C14H19N3O3S — CID 126470209

IUPAC3-tert-butyl-5-oxo-N-propan-2-yloxy-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCC(C)ONC(=O)c1cnc2scc(C(C)(C)C)n2c1=O
InChIInChI=1S/C14H19N3O3S/c1-8(2)20-16-11(18)9-6-15-13-17(12(9)19)10(7-21-13)14(3,4)5/h6-8H,1-5H3,(H,16,18)
InChIKeyBSUAJUHUDSRWFN-UHFFFAOYSA-N
MW309.39 g/mol
LogP2.12
Rot. Bonds3

About 3-tert-butyl-5-oxo-N-propan-2-yloxy-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

3-tert-butyl-5-oxo-N-propan-2-yloxy-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 126470209) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is 3-tert-butyl-5-oxo-N-propan-2-yloxy-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name3-tert-butyl-5-oxo-N-propan-2-yloxy-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID126470209
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name3-tert-butyl-5-oxo-N-propan-2-yloxy-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCC(C)ONC(=O)c1cnc2scc(C(C)(C)C)n2c1=O
InChIInChI=1S/C14H19N3O3S/c1-8(2)20-16-11(18)9-6-15-13-17(12(9)19)10(7-21-13)14(3,4)5/h6-8H,1-5H3,(H,16,18)
InChIKeyBSUAJUHUDSRWFN-UHFFFAOYSA-N
XLogP2.12
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-oxo-N-propan-2-yloxy-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 3-tert-butyl-5-oxo-N-propan-2-yloxy-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 126470209) is 3-tert-butyl-5-oxo-N-propan-2-yloxy-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 3-tert-butyl-5-oxo-N-propan-2-yloxy-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 3-tert-butyl-5-oxo-N-propan-2-yloxy-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CC(C)ONC(=O)c1cnc2scc(C(C)(C)C)n2c1=O.
What is the InChIKey of 3-tert-butyl-5-oxo-N-propan-2-yloxy-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is BSUAJUHUDSRWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-8(2)20-16-11(18)9-6-15-13-17(12(9)19)10(7-21-13)14(3,4)5/h6-8H,1-5H3,(H,16,18).
What are the key properties of 3-tert-butyl-5-oxo-N-propan-2-yloxy-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
3-tert-butyl-5-oxo-N-propan-2-yloxy-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 309.39 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-oxo-N-propan-2-yloxy-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 126470209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).