N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C14H8ClF3N4O3S — CID 126471110

IUPACN-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1cn2c(=O)c(C(=O)NOc3ncc(C(F)(F)F)cc3Cl)cnc2s1
InChIInChI=1S/C14H8ClF3N4O3S/c1-6-5-22-12(24)8(4-20-13(22)26-6)10(23)21-25-11-9(15)2-7(3-19-11)14(16,17)18/h2-5H,1H3,(H,21,23)
InChIKeySPAWAZKMGPVEHM-UHFFFAOYSA-N
MW404.76 g/mol
LogP2.86
Rot. Bonds3

About N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 126471110) has the molecular formula C14H8ClF3N4O3S and a molecular weight of 404.76 g/mol. Its IUPAC name is N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID126471110
Molecular FormulaC14H8ClF3N4O3S
Molecular Weight404.76 g/mol
Exact Mass404.00
IUPAC NameN-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1cn2c(=O)c(C(=O)NOc3ncc(C(F)(F)F)cc3Cl)cnc2s1
InChIInChI=1S/C14H8ClF3N4O3S/c1-6-5-22-12(24)8(4-20-13(22)26-6)10(23)21-25-11-9(15)2-7(3-19-11)14(16,17)18/h2-5H,1H3,(H,21,23)
InChIKeySPAWAZKMGPVEHM-UHFFFAOYSA-N
XLogP2.86
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.76
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 7266736
N-[(2-chlorophenyl)methyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 7260694
N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 118264310
N-(2,4-dimethylphenyl)-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 7266724
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]acetic acid
CID 56832322
N-[1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
CID 59580171
2-chloro-5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid
CID 176902739
5-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylphenyl]methyl]-4-hydroxy-3H-1,3-thiazol-2-one
CID 91934039
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 71707599
6-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 46556322
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]-1-oxoisoquinoline-4-carboxamide
CID 3252409
N-[1-(2-methoxyethyl)indol-4-yl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 71700664

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 126471110) is N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is Cc1cn2c(=O)c(C(=O)NOc3ncc(C(F)(F)F)cc3Cl)cnc2s1.
What is the InChIKey of N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is SPAWAZKMGPVEHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF3N4O3S/c1-6-5-22-12(24)8(4-20-13(22)26-6)10(23)21-25-11-9(15)2-7(3-19-11)14(16,17)18/h2-5H,1H3,(H,21,23).
What are the key properties of N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 404.76 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 126471110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).