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

C11H13N3O3S — CID 55060964

IUPACN-(2-hydroxypropyl)-N-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCC(O)CN(C)C(=O)c1cnc2sccn2c1=O
InChIInChI=1S/C11H13N3O3S/c1-7(15)6-13(2)9(16)8-5-12-11-14(10(8)17)3-4-18-11/h3-5,7,15H,6H2,1-2H3
InChIKeyKWSJMKWMUTVQHZ-UHFFFAOYSA-N
MW267.31 g/mol
LogP0.21
Rot. Bonds3

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

N-(2-hydroxypropyl)-N-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 55060964) has the molecular formula C11H13N3O3S and a molecular weight of 267.31 g/mol. Its IUPAC name is N-(2-hydroxypropyl)-N-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxypropyl)-N-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID55060964
Molecular FormulaC11H13N3O3S
Molecular Weight267.31 g/mol
Exact Mass267.07
IUPAC NameN-(2-hydroxypropyl)-N-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCC(O)CN(C)C(=O)c1cnc2sccn2c1=O
InChIInChI=1S/C11H13N3O3S/c1-7(15)6-13(2)9(16)8-5-12-11-14(10(8)17)3-4-18-11/h3-5,7,15H,6H2,1-2H3
InChIKeyKWSJMKWMUTVQHZ-UHFFFAOYSA-N
XLogP0.21
TPSA74.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypropyl)-N-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(2-hydroxypropyl)-N-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 55060964) is N-(2-hydroxypropyl)-N-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(2-hydroxypropyl)-N-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(2-hydroxypropyl)-N-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CC(O)CN(C)C(=O)c1cnc2sccn2c1=O.
What is the InChIKey of N-(2-hydroxypropyl)-N-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is KWSJMKWMUTVQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S/c1-7(15)6-13(2)9(16)8-5-12-11-14(10(8)17)3-4-18-11/h3-5,7,15H,6H2,1-2H3.
What are the key properties of N-(2-hydroxypropyl)-N-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-(2-hydroxypropyl)-N-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 267.31 g/mol, XLogP of 0.21, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypropyl)-N-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 55060964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).