7-hydroxy-5-oxo-N-(3,3,5-trimethylcyclohexyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C16H21N3O3S — CID 135853304

IUPAC7-hydroxy-5-oxo-N-(3,3,5-trimethylcyclohexyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCC1CC(NC(=O)c2c(O)nc3sccn3c2=O)CC(C)(C)C1
InChIInChI=1S/C16H21N3O3S/c1-9-6-10(8-16(2,3)7-9)17-12(20)11-13(21)18-15-19(14(11)22)4-5-23-15/h4-5,9-10,21H,6-8H2,1-3H3,(H,17,20)
InChIKeyFOYSAQSDTSOPIV-UHFFFAOYSA-N
MW335.43 g/mol
LogP2.41
Rot. Bonds2

About 7-hydroxy-5-oxo-N-(3,3,5-trimethylcyclohexyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

7-hydroxy-5-oxo-N-(3,3,5-trimethylcyclohexyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 135853304) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is 7-hydroxy-5-oxo-N-(3,3,5-trimethylcyclohexyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-hydroxy-5-oxo-N-(3,3,5-trimethylcyclohexyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID135853304
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC Name7-hydroxy-5-oxo-N-(3,3,5-trimethylcyclohexyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCC1CC(NC(=O)c2c(O)nc3sccn3c2=O)CC(C)(C)C1
InChIInChI=1S/C16H21N3O3S/c1-9-6-10(8-16(2,3)7-9)17-12(20)11-13(21)18-15-19(14(11)22)4-5-23-15/h4-5,9-10,21H,6-8H2,1-3H3,(H,17,20)
InChIKeyFOYSAQSDTSOPIV-UHFFFAOYSA-N
XLogP2.41
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-5-oxo-N-(3,3,5-trimethylcyclohexyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 7-hydroxy-5-oxo-N-(3,3,5-trimethylcyclohexyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 135853304) is 7-hydroxy-5-oxo-N-(3,3,5-trimethylcyclohexyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-hydroxy-5-oxo-N-(3,3,5-trimethylcyclohexyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 7-hydroxy-5-oxo-N-(3,3,5-trimethylcyclohexyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CC1CC(NC(=O)c2c(O)nc3sccn3c2=O)CC(C)(C)C1.
What is the InChIKey of 7-hydroxy-5-oxo-N-(3,3,5-trimethylcyclohexyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is FOYSAQSDTSOPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S/c1-9-6-10(8-16(2,3)7-9)17-12(20)11-13(21)18-15-19(14(11)22)4-5-23-15/h4-5,9-10,21H,6-8H2,1-3H3,(H,17,20).
What are the key properties of 7-hydroxy-5-oxo-N-(3,3,5-trimethylcyclohexyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
7-hydroxy-5-oxo-N-(3,3,5-trimethylcyclohexyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 335.43 g/mol, XLogP of 2.41, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-5-oxo-N-(3,3,5-trimethylcyclohexyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 135853304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).