N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[(3R)-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide

C16H13F4N3O2S — CID 42478257

IUPACN-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[(3R)-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide
SMILESCc1cc(=O)n2c(n1)SC[C@H]2CC(=O)Nc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C16H13F4N3O2S/c1-8-4-14(25)23-10(7-26-15(23)21-8)6-13(24)22-9-2-3-12(17)11(5-9)16(18,19)20/h2-5,10H,6-7H2,1H3,(H,22,24)/t10-/m1/s1
InChIKeyFZZAIFADYXFWFV-SNVBAGLBSA-N
MW387.36 g/mol
LogP3.39
Rot. Bonds3

About N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[(3R)-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide

N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[(3R)-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide (PubChem CID 42478257) has the molecular formula C16H13F4N3O2S and a molecular weight of 387.36 g/mol. Its IUPAC name is N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[(3R)-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[(3R)-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide
PubChem CID42478257
Molecular FormulaC16H13F4N3O2S
Molecular Weight387.36 g/mol
Exact Mass387.07
IUPAC NameN-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[(3R)-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide
SMILESCc1cc(=O)n2c(n1)SC[C@H]2CC(=O)Nc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C16H13F4N3O2S/c1-8-4-14(25)23-10(7-26-15(23)21-8)6-13(24)22-9-2-3-12(17)11(5-9)16(18,19)20/h2-5,10H,6-7H2,1H3,(H,22,24)/t10-/m1/s1
InChIKeyFZZAIFADYXFWFV-SNVBAGLBSA-N
XLogP3.39
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.36
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3S)-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]-N-(4-methylphenyl)acetamide
CID 51530431
N-(4-ethylphenyl)-2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
CID 16867941
N-[4-(dimethylamino)phenyl]-2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
CID 16867958
2-[6-(3,4-dimethylphenyl)-2-oxo-10-thia-1,5,6,8-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-trien-12-yl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide
CID 16860577
N-(3-fluoro-4-methylphenyl)-2-[(3R)-5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide
CID 42065639
N-(5-chloro-2-methylphenyl)-2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
CID 16867987
2-[(3S)-5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 51530516
N-(3,4-dimethylphenyl)-2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
CID 16868522
2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(4-ethylphenyl)acetamide
CID 16868288
N-(4-bromophenyl)-2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
CID 16868298
N-(4-acetamidophenyl)-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
CID 16868762
N-(4-acetylphenyl)-2-(7-tert-butyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
CID 16868880

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[(3R)-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide?
The IUPAC name of N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[(3R)-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide (CID 42478257) is N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[(3R)-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide.
What is the SMILES notation for N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[(3R)-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide?
The canonical SMILES for N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[(3R)-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide is Cc1cc(=O)n2c(n1)SC[C@H]2CC(=O)Nc1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[(3R)-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide?
The InChIKey is FZZAIFADYXFWFV-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H13F4N3O2S/c1-8-4-14(25)23-10(7-26-15(23)21-8)6-13(24)22-9-2-3-12(17)11(5-9)16(18,19)20/h2-5,10H,6-7H2,1H3,(H,22,24)/t10-/m1/s1.
What are the key properties of N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[(3R)-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide?
N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[(3R)-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide has a molecular weight of 387.36 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[(3R)-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide is sourced from PubChem (CID 42478257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).