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

C16H23N3O2S — CID 4085155

IUPAC5-oxo-N-(3,3,5-trimethylcyclohexyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCC1CC(NC(=O)c2cnc3n(c2=O)CCS3)CC(C)(C)C1
InChIInChI=1S/C16H23N3O2S/c1-10-6-11(8-16(2,3)7-10)18-13(20)12-9-17-15-19(14(12)21)4-5-22-15/h9-11H,4-8H2,1-3H3,(H,18,20)
InChIKeySYFCSDFSGPBAGI-UHFFFAOYSA-N
MW321.45 g/mol
LogP2.29
Rot. Bonds2

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

5-oxo-N-(3,3,5-trimethylcyclohexyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 4085155) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is 5-oxo-N-(3,3,5-trimethylcyclohexyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-oxo-N-(3,3,5-trimethylcyclohexyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID4085155
Molecular FormulaC16H23N3O2S
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC Name5-oxo-N-(3,3,5-trimethylcyclohexyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCC1CC(NC(=O)c2cnc3n(c2=O)CCS3)CC(C)(C)C1
InChIInChI=1S/C16H23N3O2S/c1-10-6-11(8-16(2,3)7-10)18-13(20)12-9-17-15-19(14(12)21)4-5-22-15/h9-11H,4-8H2,1-3H3,(H,18,20)
InChIKeySYFCSDFSGPBAGI-UHFFFAOYSA-N
XLogP2.29
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-(3,3,5-trimethylcyclohexyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 5-oxo-N-(3,3,5-trimethylcyclohexyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 4085155) is 5-oxo-N-(3,3,5-trimethylcyclohexyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-oxo-N-(3,3,5-trimethylcyclohexyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 5-oxo-N-(3,3,5-trimethylcyclohexyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CC1CC(NC(=O)c2cnc3n(c2=O)CCS3)CC(C)(C)C1.
What is the InChIKey of 5-oxo-N-(3,3,5-trimethylcyclohexyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is SYFCSDFSGPBAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2S/c1-10-6-11(8-16(2,3)7-10)18-13(20)12-9-17-15-19(14(12)21)4-5-22-15/h9-11H,4-8H2,1-3H3,(H,18,20).
What are the key properties of 5-oxo-N-(3,3,5-trimethylcyclohexyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
5-oxo-N-(3,3,5-trimethylcyclohexyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 321.45 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-(3,3,5-trimethylcyclohexyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 4085155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).