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

C13H17N3O3S — CID 126469969

IUPACN-(2-hydroxyethyl)-3-methyl-5-oxo-N-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1csc2ncc(C(=O)N(CCO)C(C)C)c(=O)n12
InChIInChI=1S/C13H17N3O3S/c1-8(2)15(4-5-17)11(18)10-6-14-13-16(12(10)19)9(3)7-20-13/h6-8,17H,4-5H2,1-3H3
InChIKeyLETSSKXOCQPSGQ-UHFFFAOYSA-N
MW295.36 g/mol
LogP0.91
Rot. Bonds4

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

N-(2-hydroxyethyl)-3-methyl-5-oxo-N-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 126469969) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-3-methyl-5-oxo-N-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-3-methyl-5-oxo-N-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID126469969
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC NameN-(2-hydroxyethyl)-3-methyl-5-oxo-N-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1csc2ncc(C(=O)N(CCO)C(C)C)c(=O)n12
InChIInChI=1S/C13H17N3O3S/c1-8(2)15(4-5-17)11(18)10-6-14-13-16(12(10)19)9(3)7-20-13/h6-8,17H,4-5H2,1-3H3
InChIKeyLETSSKXOCQPSGQ-UHFFFAOYSA-N
XLogP0.91
TPSA74.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-3-methyl-5-oxo-N-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-3-methyl-5-oxo-N-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 126469969) is N-(2-hydroxyethyl)-3-methyl-5-oxo-N-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-3-methyl-5-oxo-N-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-3-methyl-5-oxo-N-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is Cc1csc2ncc(C(=O)N(CCO)C(C)C)c(=O)n12.
What is the InChIKey of N-(2-hydroxyethyl)-3-methyl-5-oxo-N-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is LETSSKXOCQPSGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-8(2)15(4-5-17)11(18)10-6-14-13-16(12(10)19)9(3)7-20-13/h6-8,17H,4-5H2,1-3H3.
What are the key properties of N-(2-hydroxyethyl)-3-methyl-5-oxo-N-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-(2-hydroxyethyl)-3-methyl-5-oxo-N-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 295.36 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-3-methyl-5-oxo-N-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 126469969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).