2-fluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide;N-[(2-fluorophenyl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-amine

C30H22F8N8OS2 — CID 157172141

IUPAC2-fluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide;N-[(2-fluorophenyl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-amine
SMILESCn1nc(C(F)(F)F)cc1-c1cnc(NC(=O)c2ccccc2F)s1.Cn1nc(C(F)(F)F)cc1-c1cnc(NCc2ccccc2F)s1
InChIInChI=1S/C15H10F4N4OS.C15H12F4N4S/c1-23-10(6-12(22-23)15(17,18)19)11-7-20-14(25-11)21-13(24)8-4-2-3-5-9(8)16;1-23-11(6-13(22-23)15(17,18)19)12-8-21-14(24-12)20-7-9-4-2-3-5-10(9)16/h2-7H,1H3,(H,20,21,24);2-6,8H,7H2,1H3,(H,20,21)
InChIKeyANPBRKJTJDHWEM-UHFFFAOYSA-N
MW726.68 g/mol
LogP8.27
Rot. Bonds7

About 2-fluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide;N-[(2-fluorophenyl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-amine

2-fluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide;N-[(2-fluorophenyl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-amine (PubChem CID 157172141) has the molecular formula C30H22F8N8OS2 and a molecular weight of 726.68 g/mol. Its IUPAC name is 2-fluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide;N-[(2-fluorophenyl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name2-fluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide;N-[(2-fluorophenyl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-amine
PubChem CID157172141
Molecular FormulaC30H22F8N8OS2
Molecular Weight726.68 g/mol
Exact Mass726.12
IUPAC Name2-fluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide;N-[(2-fluorophenyl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-amine
SMILESCn1nc(C(F)(F)F)cc1-c1cnc(NC(=O)c2ccccc2F)s1.Cn1nc(C(F)(F)F)cc1-c1cnc(NCc2ccccc2F)s1
InChIInChI=1S/C15H10F4N4OS.C15H12F4N4S/c1-23-10(6-12(22-23)15(17,18)19)11-7-20-14(25-11)21-13(24)8-4-2-3-5-9(8)16;1-23-11(6-13(22-23)15(17,18)19)12-8-21-14(24-12)20-7-9-4-2-3-5-10(9)16/h2-7H,1H3,(H,20,21,24);2-6,8H,7H2,1H3,(H,20,21)
InChIKeyANPBRKJTJDHWEM-UHFFFAOYSA-N
XLogP8.27
TPSA102.55 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500726.68
LogP ≤ 58.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 2-fluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide;N-[(2-fluorophenyl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-amine with MolForge

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Related Compounds

1,3-diphenyl-N-1,3-thiazol-2-yl-1H-pyrazole-4-carboxamide
CID 882594
3-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1-phenylthieno[2,3-c]pyrazole-5-carboxamide
CID 2102506
N-(4-methyl-1,3-thiazol-2-yl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 2336083
N-(5-methyl-1,3-thiazol-2-yl)-1,3-diphenylpyrazole-5-carboxamide
CID 2468333
N-(5-methyl-1,3-thiazol-2-yl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 2576311
2-chloro-N-[5-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-1,3-thiazol-2-yl]benzamide
CID 56848089
(2,6-difluorophenyl)-N-{5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl](1,3-thiazol-2-yl)}carboxamide
CID 56848090
4-chloro-N-[5-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-1,3-thiazol-2-yl]benzamide
CID 56848136
2-fluoro-N-[5-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-1,3-thiazol-2-yl]benzamide
CID 56848137
3-fluoro-N-[5-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 56848138
(3,5-difluoro(4-pyridyl))-N-{5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl](1,3-thiazol-2-yl)}carboxamide
CID 56848139
(2-chlorophenyl)-N-{5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl](1,3-thiazol-2-yl)}carboxamide
CID 56848140

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide;N-[(2-fluorophenyl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-amine?
The IUPAC name of 2-fluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide;N-[(2-fluorophenyl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-amine (CID 157172141) is 2-fluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide;N-[(2-fluorophenyl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for 2-fluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide;N-[(2-fluorophenyl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-amine?
The canonical SMILES for 2-fluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide;N-[(2-fluorophenyl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-amine is Cn1nc(C(F)(F)F)cc1-c1cnc(NC(=O)c2ccccc2F)s1.Cn1nc(C(F)(F)F)cc1-c1cnc(NCc2ccccc2F)s1.
What is the InChIKey of 2-fluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide;N-[(2-fluorophenyl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-amine?
The InChIKey is ANPBRKJTJDHWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F4N4OS.C15H12F4N4S/c1-23-10(6-12(22-23)15(17,18)19)11-7-20-14(25-11)21-13(24)8-4-2-3-5-9(8)16;1-23-11(6-13(22-23)15(17,18)19)12-8-21-14(24-12)20-7-9-4-2-3-5-10(9)16/h2-7H,1H3,(H,20,21,24);2-6,8H,7H2,1H3,(H,20,21).
What are the key properties of 2-fluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide;N-[(2-fluorophenyl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-amine?
2-fluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide;N-[(2-fluorophenyl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-amine has a molecular weight of 726.68 g/mol, XLogP of 8.27, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide;N-[(2-fluorophenyl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 157172141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).