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

C18H19N3O2S — CID 126470670

IUPACN-(2,2-dimethylpropyl)-5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCC(C)(C)CNC(=O)c1cnc2scc(-c3ccccc3)n2c1=O
InChIInChI=1S/C18H19N3O2S/c1-18(2,3)11-20-15(22)13-9-19-17-21(16(13)23)14(10-24-17)12-7-5-4-6-8-12/h4-10H,11H2,1-3H3,(H,20,22)
InChIKeyVDJUNVZYQYXOBI-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.20
Rot. Bonds3

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

N-(2,2-dimethylpropyl)-5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 126470670) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID126470670
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC NameN-(2,2-dimethylpropyl)-5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCC(C)(C)CNC(=O)c1cnc2scc(-c3ccccc3)n2c1=O
InChIInChI=1S/C18H19N3O2S/c1-18(2,3)11-20-15(22)13-9-19-17-21(16(13)23)14(10-24-17)12-7-5-4-6-8-12/h4-10H,11H2,1-3H3,(H,20,22)
InChIKeyVDJUNVZYQYXOBI-UHFFFAOYSA-N
XLogP3.20
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(2,2-dimethylpropyl)-5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 126470670) is N-(2,2-dimethylpropyl)-5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CC(C)(C)CNC(=O)c1cnc2scc(-c3ccccc3)n2c1=O.
What is the InChIKey of N-(2,2-dimethylpropyl)-5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is VDJUNVZYQYXOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-18(2,3)11-20-15(22)13-9-19-17-21(16(13)23)14(10-24-17)12-7-5-4-6-8-12/h4-10H,11H2,1-3H3,(H,20,22).
What are the key properties of N-(2,2-dimethylpropyl)-5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-(2,2-dimethylpropyl)-5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 341.44 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 126470670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).