N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-4-(trifluoromethyl)benzamide

C16H12F3N3O2S — CID 16933537

IUPACN-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-4-(trifluoromethyl)benzamide
SMILESCc1nc2scc(C)n2c(=O)c1NC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H12F3N3O2S/c1-8-7-25-15-20-9(2)12(14(24)22(8)15)21-13(23)10-3-5-11(6-4-10)16(17,18)19/h3-7H,1-2H3,(H,21,23)
InChIKeyFRZHPXLEWNPXSM-UHFFFAOYSA-N
MW367.35 g/mol
LogP3.64
Rot. Bonds2

About N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-4-(trifluoromethyl)benzamide

N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-4-(trifluoromethyl)benzamide (PubChem CID 16933537) has the molecular formula C16H12F3N3O2S and a molecular weight of 367.35 g/mol. Its IUPAC name is N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-4-(trifluoromethyl)benzamide
PubChem CID16933537
Molecular FormulaC16H12F3N3O2S
Molecular Weight367.35 g/mol
Exact Mass367.06
IUPAC NameN-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-4-(trifluoromethyl)benzamide
SMILESCc1nc2scc(C)n2c(=O)c1NC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H12F3N3O2S/c1-8-7-25-15-20-9(2)12(14(24)22(8)15)21-13(23)10-3-5-11(6-4-10)16(17,18)19/h3-7H,1-2H3,(H,21,23)
InChIKeyFRZHPXLEWNPXSM-UHFFFAOYSA-N
XLogP3.64
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.35
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-[5-oxo-6-(trifluoromethyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-6-yl]benzamide
CID 3757861
N-{2-[(4-hydroxy-6-propylpyrimidin-2-yl)sulfanyl]acetyl}benzamide
CID 135413606
N-[4-amino-2-(2-hydroxyethylsulfanyl)-6-oxo-1H-pyrimidin-5-yl]-2-fluorobenzamide
CID 135541113
2-((4-Amino-5-(2-fluorobenzamido)-6-oxo-1,6-dihydropyrimidin-2-yl)thio)acetic acid
CID 135541127
N-(4-amino-2-((2-(tert-butylamino)-2-oxoethyl)thio)-6-oxo-1,6-dihydropyrimidin-5-yl)-2-fluorobenzamide
CID 135541130
N-(4-amino-6-oxo-2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-1,6-dihydropyrimidin-5-yl)-2-fluorobenzamide
CID 135700670
4-methyl-N-(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)benzamide
CID 2233157
4-fluoro-N-(4-oxo-6,7,8,9-tetrahydropyrimido[2,1-b][1,3]benzothiazol-3-yl)benzamide
CID 2380799
N-(4-amino-2-((2-(isopropylamino)-2-oxoethyl)thio)-6-oxo-1,6-dihydropyrimidin-5-yl)-2-fluorobenzamide
CID 135521539
N-[6-amino-2-[[2-(4-methyl-1-piperidinyl)-2-oxoethyl]thio]-4-oxo-1H-pyrimidin-5-yl]benzamide
CID 135831373
4-fluoro-N-(5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide
CID 801344
(2-(ethylthio)-4,5-dihydro-1H-imidazol-1-yl)(4-(trifluoromethyl)phenyl)methanone
CID 4182399

Frequently Asked Questions

What is the IUPAC name of N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-4-(trifluoromethyl)benzamide?
The IUPAC name of N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-4-(trifluoromethyl)benzamide (CID 16933537) is N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-4-(trifluoromethyl)benzamide is Cc1nc2scc(C)n2c(=O)c1NC(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-4-(trifluoromethyl)benzamide?
The InChIKey is FRZHPXLEWNPXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O2S/c1-8-7-25-15-20-9(2)12(14(24)22(8)15)21-13(23)10-3-5-11(6-4-10)16(17,18)19/h3-7H,1-2H3,(H,21,23).
What are the key properties of N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-4-(trifluoromethyl)benzamide?
N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-4-(trifluoromethyl)benzamide has a molecular weight of 367.35 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 16933537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).