N-(4-ethylcyclohexyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C15H19N3O2S — CID 126668650

IUPACN-(4-ethylcyclohexyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCC1CCC(NC(=O)c2cnc3sccn3c2=O)CC1
InChIInChI=1S/C15H19N3O2S/c1-2-10-3-5-11(6-4-10)17-13(19)12-9-16-15-18(14(12)20)7-8-21-15/h7-11H,2-6H2,1H3,(H,17,19)
InChIKeyAIPIUMZNUFLCMN-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.45
Rot. Bonds3

About N-(4-ethylcyclohexyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

N-(4-ethylcyclohexyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 126668650) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-(4-ethylcyclohexyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(4-ethylcyclohexyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID126668650
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC NameN-(4-ethylcyclohexyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCC1CCC(NC(=O)c2cnc3sccn3c2=O)CC1
InChIInChI=1S/C15H19N3O2S/c1-2-10-3-5-11(6-4-10)17-13(19)12-9-16-15-18(14(12)20)7-8-21-15/h7-11H,2-6H2,1H3,(H,17,19)
InChIKeyAIPIUMZNUFLCMN-UHFFFAOYSA-N
XLogP2.45
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethylcyclohexyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(4-ethylcyclohexyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 126668650) is N-(4-ethylcyclohexyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(4-ethylcyclohexyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(4-ethylcyclohexyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CCC1CCC(NC(=O)c2cnc3sccn3c2=O)CC1.
What is the InChIKey of N-(4-ethylcyclohexyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is AIPIUMZNUFLCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-2-10-3-5-11(6-4-10)17-13(19)12-9-16-15-18(14(12)20)7-8-21-15/h7-11H,2-6H2,1H3,(H,17,19).
What are the key properties of N-(4-ethylcyclohexyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-(4-ethylcyclohexyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 305.40 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylcyclohexyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 126668650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).