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

C14H11N3O2S — CID 3410516

IUPACN-(3-methylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1cccc(NC(=O)c2cnc3sccn3c2=O)c1
InChIInChI=1S/C14H11N3O2S/c1-9-3-2-4-10(7-9)16-12(18)11-8-15-14-17(13(11)19)5-6-20-14/h2-8H,1H3,(H,16,18)
InChIKeyFZCGJEZSWYCTDC-UHFFFAOYSA-N
MW285.33 g/mol
LogP2.32
Rot. Bonds2

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

N-(3-methylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 3410516) has the molecular formula C14H11N3O2S and a molecular weight of 285.33 g/mol. Its IUPAC name is N-(3-methylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID3410516
Molecular FormulaC14H11N3O2S
Molecular Weight285.33 g/mol
Exact Mass285.06
IUPAC NameN-(3-methylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1cccc(NC(=O)c2cnc3sccn3c2=O)c1
InChIInChI=1S/C14H11N3O2S/c1-9-3-2-4-10(7-9)16-12(18)11-8-15-14-17(13(11)19)5-6-20-14/h2-8H,1H3,(H,16,18)
InChIKeyFZCGJEZSWYCTDC-UHFFFAOYSA-N
XLogP2.32
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(3-methylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 3410516) is N-(3-methylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(3-methylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(3-methylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is Cc1cccc(NC(=O)c2cnc3sccn3c2=O)c1.
What is the InChIKey of N-(3-methylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is FZCGJEZSWYCTDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2S/c1-9-3-2-4-10(7-9)16-12(18)11-8-15-14-17(13(11)19)5-6-20-14/h2-8H,1H3,(H,16,18).
What are the key properties of N-(3-methylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-(3-methylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 285.33 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 3410516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).