3-tert-butyl-N-(2-hydroxyethyl)-N-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C14H19N3O3S — CID 126470083

IUPAC3-tert-butyl-N-(2-hydroxyethyl)-N-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCN(CCO)C(=O)c1cnc2scc(C(C)(C)C)n2c1=O
InChIInChI=1S/C14H19N3O3S/c1-14(2,3)10-8-21-13-15-7-9(12(20)17(10)13)11(19)16(4)5-6-18/h7-8,18H,5-6H2,1-4H3
InChIKeyKCEWJJWEBQLQBH-UHFFFAOYSA-N
MW309.39 g/mol
LogP1.12
Rot. Bonds3

About 3-tert-butyl-N-(2-hydroxyethyl)-N-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

3-tert-butyl-N-(2-hydroxyethyl)-N-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 126470083) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is 3-tert-butyl-N-(2-hydroxyethyl)-N-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name3-tert-butyl-N-(2-hydroxyethyl)-N-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID126470083
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name3-tert-butyl-N-(2-hydroxyethyl)-N-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCN(CCO)C(=O)c1cnc2scc(C(C)(C)C)n2c1=O
InChIInChI=1S/C14H19N3O3S/c1-14(2,3)10-8-21-13-15-7-9(12(20)17(10)13)11(19)16(4)5-6-18/h7-8,18H,5-6H2,1-4H3
InChIKeyKCEWJJWEBQLQBH-UHFFFAOYSA-N
XLogP1.12
TPSA74.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-(2-hydroxyethyl)-N-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 3-tert-butyl-N-(2-hydroxyethyl)-N-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 126470083) is 3-tert-butyl-N-(2-hydroxyethyl)-N-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 3-tert-butyl-N-(2-hydroxyethyl)-N-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 3-tert-butyl-N-(2-hydroxyethyl)-N-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CN(CCO)C(=O)c1cnc2scc(C(C)(C)C)n2c1=O.
What is the InChIKey of 3-tert-butyl-N-(2-hydroxyethyl)-N-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is KCEWJJWEBQLQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-14(2,3)10-8-21-13-15-7-9(12(20)17(10)13)11(19)16(4)5-6-18/h7-8,18H,5-6H2,1-4H3.
What are the key properties of 3-tert-butyl-N-(2-hydroxyethyl)-N-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
3-tert-butyl-N-(2-hydroxyethyl)-N-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 309.39 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-(2-hydroxyethyl)-N-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 126470083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).