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

C15H19N3O3S — CID 126471201

IUPAC3-ethyl-N-(4-hydroxycyclohexyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCc1csc2ncc(C(=O)NC3CCC(O)CC3)c(=O)n12
InChIInChI=1S/C15H19N3O3S/c1-2-10-8-22-15-16-7-12(14(21)18(10)15)13(20)17-9-3-5-11(19)6-4-9/h7-9,11,19H,2-6H2,1H3,(H,17,20)
InChIKeyJXXPYODTWKPTAO-UHFFFAOYSA-N
MW321.40 g/mol
LogP1.35
Rot. Bonds3

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

3-ethyl-N-(4-hydroxycyclohexyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 126471201) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is 3-ethyl-N-(4-hydroxycyclohexyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-(4-hydroxycyclohexyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID126471201
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC Name3-ethyl-N-(4-hydroxycyclohexyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCc1csc2ncc(C(=O)NC3CCC(O)CC3)c(=O)n12
InChIInChI=1S/C15H19N3O3S/c1-2-10-8-22-15-16-7-12(14(21)18(10)15)13(20)17-9-3-5-11(19)6-4-9/h7-9,11,19H,2-6H2,1H3,(H,17,20)
InChIKeyJXXPYODTWKPTAO-UHFFFAOYSA-N
XLogP1.35
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(4-hydroxycyclohexyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 3-ethyl-N-(4-hydroxycyclohexyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 126471201) is 3-ethyl-N-(4-hydroxycyclohexyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 3-ethyl-N-(4-hydroxycyclohexyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 3-ethyl-N-(4-hydroxycyclohexyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CCc1csc2ncc(C(=O)NC3CCC(O)CC3)c(=O)n12.
What is the InChIKey of 3-ethyl-N-(4-hydroxycyclohexyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is JXXPYODTWKPTAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-2-10-8-22-15-16-7-12(14(21)18(10)15)13(20)17-9-3-5-11(19)6-4-9/h7-9,11,19H,2-6H2,1H3,(H,17,20).
What are the key properties of 3-ethyl-N-(4-hydroxycyclohexyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
3-ethyl-N-(4-hydroxycyclohexyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 321.40 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(4-hydroxycyclohexyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 126471201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).