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

C14H11N3O3S — CID 3243832

IUPACN-(4-methoxyphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCOc1ccc(NC(=O)c2cnc3sccn3c2=O)cc1
InChIInChI=1S/C14H11N3O3S/c1-20-10-4-2-9(3-5-10)16-12(18)11-8-15-14-17(13(11)19)6-7-21-14/h2-8H,1H3,(H,16,18)
InChIKeySXUIZAKTEAVQHC-UHFFFAOYSA-N
MW301.33 g/mol
LogP2.02
Rot. Bonds3

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

N-(4-methoxyphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 3243832) has the molecular formula C14H11N3O3S and a molecular weight of 301.33 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID3243832
Molecular FormulaC14H11N3O3S
Molecular Weight301.33 g/mol
Exact Mass301.05
IUPAC NameN-(4-methoxyphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCOc1ccc(NC(=O)c2cnc3sccn3c2=O)cc1
InChIInChI=1S/C14H11N3O3S/c1-20-10-4-2-9(3-5-10)16-12(18)11-8-15-14-17(13(11)19)6-7-21-14/h2-8H,1H3,(H,16,18)
InChIKeySXUIZAKTEAVQHC-UHFFFAOYSA-N
XLogP2.02
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 3243832) is N-(4-methoxyphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is COc1ccc(NC(=O)c2cnc3sccn3c2=O)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is SXUIZAKTEAVQHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3S/c1-20-10-4-2-9(3-5-10)16-12(18)11-8-15-14-17(13(11)19)6-7-21-14/h2-8H,1H3,(H,16,18).
What are the key properties of N-(4-methoxyphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-(4-methoxyphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 301.33 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 3243832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).