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

C15H21N3O3S — CID 126470468

IUPAC3-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCc1csc2ncc(C(=O)NC(CO)CC(C)C)c(=O)n12
InChIInChI=1S/C15H21N3O3S/c1-4-11-8-22-15-16-6-12(14(21)18(11)15)13(20)17-10(7-19)5-9(2)3/h6,8-10,19H,4-5,7H2,1-3H3,(H,17,20)
InChIKeyUBMAHBCTITXXQS-UHFFFAOYSA-N
MW323.42 g/mol
LogP1.46
Rot. Bonds6

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

3-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 126470468) has the molecular formula C15H21N3O3S and a molecular weight of 323.42 g/mol. Its IUPAC name is 3-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID126470468
Molecular FormulaC15H21N3O3S
Molecular Weight323.42 g/mol
Exact Mass323.13
IUPAC Name3-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCc1csc2ncc(C(=O)NC(CO)CC(C)C)c(=O)n12
InChIInChI=1S/C15H21N3O3S/c1-4-11-8-22-15-16-6-12(14(21)18(11)15)13(20)17-10(7-19)5-9(2)3/h6,8-10,19H,4-5,7H2,1-3H3,(H,17,20)
InChIKeyUBMAHBCTITXXQS-UHFFFAOYSA-N
XLogP1.46
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 3-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 126470468) is 3-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 3-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 3-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CCc1csc2ncc(C(=O)NC(CO)CC(C)C)c(=O)n12.
What is the InChIKey of 3-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is UBMAHBCTITXXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3S/c1-4-11-8-22-15-16-6-12(14(21)18(11)15)13(20)17-10(7-19)5-9(2)3/h6,8-10,19H,4-5,7H2,1-3H3,(H,17,20).
What are the key properties of 3-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
3-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 323.42 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 126470468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).