N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-(trifluoromethyl)benzamide

C15H10F3N3O2S — CID 16933460

IUPACN-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-(trifluoromethyl)benzamide
SMILESCc1nc2sccn2c(=O)c1NC(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H10F3N3O2S/c1-8-11(13(23)21-6-7-24-14(21)19-8)20-12(22)9-4-2-3-5-10(9)15(16,17)18/h2-7H,1H3,(H,20,22)
InChIKeyRQNJEBUFVDAESS-UHFFFAOYSA-N
MW353.33 g/mol
LogP3.34
Rot. Bonds2

About N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-(trifluoromethyl)benzamide

N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-(trifluoromethyl)benzamide (PubChem CID 16933460) has the molecular formula C15H10F3N3O2S and a molecular weight of 353.33 g/mol. Its IUPAC name is N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-(trifluoromethyl)benzamide
PubChem CID16933460
Molecular FormulaC15H10F3N3O2S
Molecular Weight353.33 g/mol
Exact Mass353.04
IUPAC NameN-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-(trifluoromethyl)benzamide
SMILESCc1nc2sccn2c(=O)c1NC(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H10F3N3O2S/c1-8-11(13(23)21-6-7-24-14(21)19-8)20-12(22)9-4-2-3-5-10(9)15(16,17)18/h2-7H,1H3,(H,20,22)
InChIKeyRQNJEBUFVDAESS-UHFFFAOYSA-N
XLogP3.34
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.33
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-(trifluoromethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoethyl]-2-fluorobenzamide
CID 745463
N-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-methyl-2-oxoethyl]-4-fluorobenzamide
CID 3827619
N-[5-oxo-6-(trifluoromethyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-6-yl]benzamide
CID 2962300
4-methyl-N-[5-oxo-6-(trifluoromethyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-6-yl]benzamide
CID 3757861
2-chloro-N-(5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide
CID 2380034
2-methyl-N-(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-3-yl)benzamide
CID 18891468
4-fluoro-N-(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)benzamide
CID 2239640
N-(4-amino-6-oxo-2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-1,6-dihydropyrimidin-5-yl)-2-fluorobenzamide
CID 135700670
4-fluoro-N-(4-oxo-6,7,8,9-tetrahydropyrimido[2,1-b][1,3]benzothiazol-3-yl)benzamide
CID 2380799
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 2998455
2-[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]ethyl]isoindole-1,3-dione
CID 135454664
2-[4-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]butyl]isoindole-1,3-dione
CID 135481271

Frequently Asked Questions

What is the IUPAC name of N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-(trifluoromethyl)benzamide?
The IUPAC name of N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-(trifluoromethyl)benzamide (CID 16933460) is N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-(trifluoromethyl)benzamide is Cc1nc2sccn2c(=O)c1NC(=O)c1ccccc1C(F)(F)F.
What is the InChIKey of N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-(trifluoromethyl)benzamide?
The InChIKey is RQNJEBUFVDAESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3O2S/c1-8-11(13(23)21-6-7-24-14(21)19-8)20-12(22)9-4-2-3-5-10(9)15(16,17)18/h2-7H,1H3,(H,20,22).
What are the key properties of N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-(trifluoromethyl)benzamide?
N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-(trifluoromethyl)benzamide has a molecular weight of 353.33 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 16933460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).