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

C11H13N3O2S — CID 47473349

IUPACN-methyl-5-oxo-N-propyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCCN(C)C(=O)c1cnc2sccn2c1=O
InChIInChI=1S/C11H13N3O2S/c1-3-4-13(2)9(15)8-7-12-11-14(10(8)16)5-6-17-11/h5-7H,3-4H2,1-2H3
InChIKeyWAEDULLKZYHNPB-UHFFFAOYSA-N
MW251.31 g/mol
LogP1.24
Rot. Bonds3

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

N-methyl-5-oxo-N-propyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 47473349) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is N-methyl-5-oxo-N-propyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-methyl-5-oxo-N-propyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID47473349
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC NameN-methyl-5-oxo-N-propyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCCN(C)C(=O)c1cnc2sccn2c1=O
InChIInChI=1S/C11H13N3O2S/c1-3-4-13(2)9(15)8-7-12-11-14(10(8)16)5-6-17-11/h5-7H,3-4H2,1-2H3
InChIKeyWAEDULLKZYHNPB-UHFFFAOYSA-N
XLogP1.24
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-oxo-N-propyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-methyl-5-oxo-N-propyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 47473349) is N-methyl-5-oxo-N-propyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-methyl-5-oxo-N-propyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-methyl-5-oxo-N-propyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CCCN(C)C(=O)c1cnc2sccn2c1=O.
What is the InChIKey of N-methyl-5-oxo-N-propyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is WAEDULLKZYHNPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c1-3-4-13(2)9(15)8-7-12-11-14(10(8)16)5-6-17-11/h5-7H,3-4H2,1-2H3.
What are the key properties of N-methyl-5-oxo-N-propyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-methyl-5-oxo-N-propyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 251.31 g/mol, XLogP of 1.24, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-oxo-N-propyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 47473349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).