N-cyclooctyl-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C17H23N3O2S — CID 17248438

IUPACN-cyclooctyl-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1sc2ncc(C(=O)NC3CCCCCCC3)c(=O)n2c1C
InChIInChI=1S/C17H23N3O2S/c1-11-12(2)23-17-18-10-14(16(22)20(11)17)15(21)19-13-8-6-4-3-5-7-9-13/h10,13H,3-9H2,1-2H3,(H,19,21)
InChIKeyOZEVCSHZOILUKI-UHFFFAOYSA-N
MW333.46 g/mol
LogP3.22
Rot. Bonds2

About N-cyclooctyl-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

N-cyclooctyl-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 17248438) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is N-cyclooctyl-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-cyclooctyl-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID17248438
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC NameN-cyclooctyl-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1sc2ncc(C(=O)NC3CCCCCCC3)c(=O)n2c1C
InChIInChI=1S/C17H23N3O2S/c1-11-12(2)23-17-18-10-14(16(22)20(11)17)15(21)19-13-8-6-4-3-5-7-9-13/h10,13H,3-9H2,1-2H3,(H,19,21)
InChIKeyOZEVCSHZOILUKI-UHFFFAOYSA-N
XLogP3.22
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-cyclooctyl-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 17248438) is N-cyclooctyl-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-cyclooctyl-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-cyclooctyl-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is Cc1sc2ncc(C(=O)NC3CCCCCCC3)c(=O)n2c1C.
What is the InChIKey of N-cyclooctyl-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is OZEVCSHZOILUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-11-12(2)23-17-18-10-14(16(22)20(11)17)15(21)19-13-8-6-4-3-5-7-9-13/h10,13H,3-9H2,1-2H3,(H,19,21).
What are the key properties of N-cyclooctyl-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-cyclooctyl-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 333.46 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 17248438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).