N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide

C15H8F4N4O2S — CID 58337687

IUPACN-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cc(F)cc(Oc2cncnc2)c1)c1csc(C(F)(F)F)n1
InChIInChI=1S/C15H8F4N4O2S/c16-8-1-9(3-10(2-8)25-11-4-20-7-21-5-11)22-13(24)12-6-26-14(23-12)15(17,18)19/h1-7H,(H,22,24)
InChIKeySQQCYWQEPKSYTI-UHFFFAOYSA-N
MW384.31 g/mol
LogP4.14
Rot. Bonds4

About N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide

N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide (PubChem CID 58337687) has the molecular formula C15H8F4N4O2S and a molecular weight of 384.31 g/mol. Its IUPAC name is N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide
PubChem CID58337687
Molecular FormulaC15H8F4N4O2S
Molecular Weight384.31 g/mol
Exact Mass384.03
IUPAC NameN-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cc(F)cc(Oc2cncnc2)c1)c1csc(C(F)(F)F)n1
InChIInChI=1S/C15H8F4N4O2S/c16-8-1-9(3-10(2-8)25-11-4-20-7-21-5-11)22-13(24)12-6-26-14(23-12)15(17,18)19/h1-7H,(H,22,24)
InChIKeySQQCYWQEPKSYTI-UHFFFAOYSA-N
XLogP4.14
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.31
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-4-(trihydroxymethoxy)pyridine-2-carboxamide
CID 123947462
N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-4-oxo-1H-pyridine-2-carboxamide
CID 58337549
N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;3-methyl-N-(3-pyrimidin-5-yloxyphenyl)benzamide
CID 123377102
2-(trifluoromethyl)-1,3-thiazole-4-carbohydrazide
CID 89488133
3-(dimethylsulfamoyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;3-methyl-N-[3-pyrimidin-5-yloxy-5-(trifluoromethyl)phenyl]benzamide
CID 159213971
N-(3,4-dimethyl-5-pyrimidin-5-yloxyphenyl)-5-fluoropyridine-2-carboxamide
CID 123137706
N-ethyl-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide
CID 121264029
3-(1,1-difluoroethoxy)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;2-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-4-carboxamide;N-[3-[ethyl(pyridin-3-yl)amino]-5-fluorophenyl]-3-ethynylbenzamide;3-ethynyl-N-[3-[methyl-[5-(trifluoromethyl)-3-pyridinyl]amino]phenyl]benzamide;N-(3-fluoro-5-pyridin-3-yloxyphenyl)-6-methylpyridine-2-carboxamide;N-(3-iodo-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;methane
CID 157356230
6-chloro-N-(5-pyrimidin-5-yloxy-3-pyridinyl)pyridine-2-carboxamide
CID 58349107
ethyl 4-[(3,5-difluorophenyl)carbamoyl]-1,3-thiazole-2-carboxylate
CID 116697662
3-[5-[3-cyano-5-[(3-fluorobenzoyl)amino]phenoxy]pyrimidin-1-ium-1-yl]-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-5-(trifluoromethoxy)benzamide
CID 123467811
N-[3,5-bis(4-fluorophenoxy)phenyl]-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 5201649

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide (CID 58337687) is N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide is O=C(Nc1cc(F)cc(Oc2cncnc2)c1)c1csc(C(F)(F)F)n1.
What is the InChIKey of N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is SQQCYWQEPKSYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F4N4O2S/c16-8-1-9(3-10(2-8)25-11-4-20-7-21-5-11)22-13(24)12-6-26-14(23-12)15(17,18)19/h1-7H,(H,22,24).
What are the key properties of N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide?
N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 384.31 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 58337687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).