N-[(4-methoxyphenyl)methyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C15H15N3O3S — CID 4582696

IUPACN-[(4-methoxyphenyl)methyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCOc1ccc(CNC(=O)c2cnc3n(c2=O)CCS3)cc1
InChIInChI=1S/C15H15N3O3S/c1-21-11-4-2-10(3-5-11)8-16-13(19)12-9-17-15-18(14(12)20)6-7-22-15/h2-5,9H,6-8H2,1H3,(H,16,19)
InChIKeyGEPFOJGQUAGBAE-UHFFFAOYSA-N
MW317.37 g/mol
LogP1.29
Rot. Bonds4

About N-[(4-methoxyphenyl)methyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

N-[(4-methoxyphenyl)methyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 4582696) has the molecular formula C15H15N3O3S and a molecular weight of 317.37 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID4582696
Molecular FormulaC15H15N3O3S
Molecular Weight317.37 g/mol
Exact Mass317.08
IUPAC NameN-[(4-methoxyphenyl)methyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCOc1ccc(CNC(=O)c2cnc3n(c2=O)CCS3)cc1
InChIInChI=1S/C15H15N3O3S/c1-21-11-4-2-10(3-5-11)8-16-13(19)12-9-17-15-18(14(12)20)6-7-22-15/h2-5,9H,6-8H2,1H3,(H,16,19)
InChIKeyGEPFOJGQUAGBAE-UHFFFAOYSA-N
XLogP1.29
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 4582696) is N-[(4-methoxyphenyl)methyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is COc1ccc(CNC(=O)c2cnc3n(c2=O)CCS3)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is GEPFOJGQUAGBAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3S/c1-21-11-4-2-10(3-5-11)8-16-13(19)12-9-17-15-18(14(12)20)6-7-22-15/h2-5,9H,6-8H2,1H3,(H,16,19).
What are the key properties of N-[(4-methoxyphenyl)methyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-[(4-methoxyphenyl)methyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 317.37 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 4582696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).