5-oxo-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C17H21N3O2S — CID 78793742

IUPAC5-oxo-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCC1(C)C2CCC1(C)C(NC(=O)c1cnc3sccn3c1=O)C2
InChIInChI=1S/C17H21N3O2S/c1-16(2)10-4-5-17(16,3)12(8-10)19-13(21)11-9-18-15-20(14(11)22)6-7-23-15/h6-7,9-10,12H,4-5,8H2,1-3H3,(H,19,21)
InChIKeyKVNWYMIVWPLFGL-UHFFFAOYSA-N
MW331.44 g/mol
LogP2.70
Rot. Bonds2

About 5-oxo-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

5-oxo-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 78793742) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is 5-oxo-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-oxo-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID78793742
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC Name5-oxo-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCC1(C)C2CCC1(C)C(NC(=O)c1cnc3sccn3c1=O)C2
InChIInChI=1S/C17H21N3O2S/c1-16(2)10-4-5-17(16,3)12(8-10)19-13(21)11-9-18-15-20(14(11)22)6-7-23-15/h6-7,9-10,12H,4-5,8H2,1-3H3,(H,19,21)
InChIKeyKVNWYMIVWPLFGL-UHFFFAOYSA-N
XLogP2.70
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 5-oxo-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 78793742) is 5-oxo-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-oxo-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 5-oxo-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CC1(C)C2CCC1(C)C(NC(=O)c1cnc3sccn3c1=O)C2.
What is the InChIKey of 5-oxo-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is KVNWYMIVWPLFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-16(2)10-4-5-17(16,3)12(8-10)19-13(21)11-9-18-15-20(14(11)22)6-7-23-15/h6-7,9-10,12H,4-5,8H2,1-3H3,(H,19,21).
What are the key properties of 5-oxo-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
5-oxo-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 331.44 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 78793742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).