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

C15H13N3O3S — CID 4114331

IUPACN-[(2-methoxyphenyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cnc2sccn2c1=O
InChIInChI=1S/C15H13N3O3S/c1-21-12-5-3-2-4-10(12)8-16-13(19)11-9-17-15-18(14(11)20)6-7-22-15/h2-7,9H,8H2,1H3,(H,16,19)
InChIKeyDYNSEBNHXXBQNJ-UHFFFAOYSA-N
MW315.35 g/mol
LogP1.69
Rot. Bonds4

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

N-[(2-methoxyphenyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 4114331) has the molecular formula C15H13N3O3S and a molecular weight of 315.35 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID4114331
Molecular FormulaC15H13N3O3S
Molecular Weight315.35 g/mol
Exact Mass315.07
IUPAC NameN-[(2-methoxyphenyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cnc2sccn2c1=O
InChIInChI=1S/C15H13N3O3S/c1-21-12-5-3-2-4-10(12)8-16-13(19)11-9-17-15-18(14(11)20)6-7-22-15/h2-7,9H,8H2,1H3,(H,16,19)
InChIKeyDYNSEBNHXXBQNJ-UHFFFAOYSA-N
XLogP1.69
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 4114331) is N-[(2-methoxyphenyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is COc1ccccc1CNC(=O)c1cnc2sccn2c1=O.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is DYNSEBNHXXBQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3S/c1-21-12-5-3-2-4-10(12)8-16-13(19)11-9-17-15-18(14(11)20)6-7-22-15/h2-7,9H,8H2,1H3,(H,16,19).
What are the key properties of N-[(2-methoxyphenyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-[(2-methoxyphenyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 315.35 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 4114331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).