2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3,3,5-trimethylcyclohexyl)acetamide

C20H31N3O2S — CID 16868630

IUPAC2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3,3,5-trimethylcyclohexyl)acetamide
SMILESCC1CC(NC(=O)CC2CSc3nc(C(C)C)cc(=O)n32)CC(C)(C)C1
InChIInChI=1S/C20H31N3O2S/c1-12(2)16-8-18(25)23-15(11-26-19(23)22-16)7-17(24)21-14-6-13(3)9-20(4,5)10-14/h8,12-15H,6-7,9-11H2,1-5H3,(H,21,24)
InChIKeyUHOICEZKTDLUJV-UHFFFAOYSA-N
MW377.55 g/mol
LogP3.73
Rot. Bonds4

About 2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3,3,5-trimethylcyclohexyl)acetamide

2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3,3,5-trimethylcyclohexyl)acetamide (PubChem CID 16868630) has the molecular formula C20H31N3O2S and a molecular weight of 377.55 g/mol. Its IUPAC name is 2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3,3,5-trimethylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3,3,5-trimethylcyclohexyl)acetamide
PubChem CID16868630
Molecular FormulaC20H31N3O2S
Molecular Weight377.55 g/mol
Exact Mass377.21
IUPAC Name2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3,3,5-trimethylcyclohexyl)acetamide
SMILESCC1CC(NC(=O)CC2CSc3nc(C(C)C)cc(=O)n32)CC(C)(C)C1
InChIInChI=1S/C20H31N3O2S/c1-12(2)16-8-18(25)23-15(11-26-19(23)22-16)7-17(24)21-14-6-13(3)9-20(4,5)10-14/h8,12-15H,6-7,9-11H2,1-5H3,(H,21,24)
InChIKeyUHOICEZKTDLUJV-UHFFFAOYSA-N
XLogP3.73
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.55
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3,3,5-trimethylcyclohexyl)acetamide?
The IUPAC name of 2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3,3,5-trimethylcyclohexyl)acetamide (CID 16868630) is 2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3,3,5-trimethylcyclohexyl)acetamide.
What is the SMILES notation for 2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3,3,5-trimethylcyclohexyl)acetamide?
The canonical SMILES for 2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3,3,5-trimethylcyclohexyl)acetamide is CC1CC(NC(=O)CC2CSc3nc(C(C)C)cc(=O)n32)CC(C)(C)C1.
What is the InChIKey of 2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3,3,5-trimethylcyclohexyl)acetamide?
The InChIKey is UHOICEZKTDLUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2S/c1-12(2)16-8-18(25)23-15(11-26-19(23)22-16)7-17(24)21-14-6-13(3)9-20(4,5)10-14/h8,12-15H,6-7,9-11H2,1-5H3,(H,21,24).
What are the key properties of 2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3,3,5-trimethylcyclohexyl)acetamide?
2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3,3,5-trimethylcyclohexyl)acetamide has a molecular weight of 377.55 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3,3,5-trimethylcyclohexyl)acetamide is sourced from PubChem (CID 16868630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).