N-(2-methoxy-6-methylphenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C15H15N3O3S — CID 3707978

IUPACN-(2-methoxy-6-methylphenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCOc1cccc(C)c1NC(=O)c1cnc2n(c1=O)CCS2
InChIInChI=1S/C15H15N3O3S/c1-9-4-3-5-11(21-2)12(9)17-13(19)10-8-16-15-18(14(10)20)6-7-22-15/h3-5,8H,6-7H2,1-2H3,(H,17,19)
InChIKeyKDTNKVPWUXEWCZ-UHFFFAOYSA-N
MW317.37 g/mol
LogP1.92
Rot. Bonds3

About N-(2-methoxy-6-methylphenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

N-(2-methoxy-6-methylphenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 3707978) has the molecular formula C15H15N3O3S and a molecular weight of 317.37 g/mol. Its IUPAC name is N-(2-methoxy-6-methylphenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-6-methylphenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID3707978
Molecular FormulaC15H15N3O3S
Molecular Weight317.37 g/mol
Exact Mass317.08
IUPAC NameN-(2-methoxy-6-methylphenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCOc1cccc(C)c1NC(=O)c1cnc2n(c1=O)CCS2
InChIInChI=1S/C15H15N3O3S/c1-9-4-3-5-11(21-2)12(9)17-13(19)10-8-16-15-18(14(10)20)6-7-22-15/h3-5,8H,6-7H2,1-2H3,(H,17,19)
InChIKeyKDTNKVPWUXEWCZ-UHFFFAOYSA-N
XLogP1.92
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-6-methylphenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(2-methoxy-6-methylphenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 3707978) is N-(2-methoxy-6-methylphenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(2-methoxy-6-methylphenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(2-methoxy-6-methylphenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is COc1cccc(C)c1NC(=O)c1cnc2n(c1=O)CCS2.
What is the InChIKey of N-(2-methoxy-6-methylphenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is KDTNKVPWUXEWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3S/c1-9-4-3-5-11(21-2)12(9)17-13(19)10-8-16-15-18(14(10)20)6-7-22-15/h3-5,8H,6-7H2,1-2H3,(H,17,19).
What are the key properties of N-(2-methoxy-6-methylphenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-(2-methoxy-6-methylphenyl)-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 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-6-methylphenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 3707978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).