5-amino-2-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide

C15H11F4N5OS — CID 144595281

IUPAC5-amino-2-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCn1cc(NC(=O)c2nc(-c3ccc(C(F)(F)F)cc3F)sc2N)cn1
InChIInChI=1S/C15H11F4N5OS/c1-24-6-8(5-21-24)22-13(25)11-12(20)26-14(23-11)9-3-2-7(4-10(9)16)15(17,18)19/h2-6H,20H2,1H3,(H,22,25)
InChIKeyOEGFVFWMHQCEDA-UHFFFAOYSA-N
MW385.35 g/mol
LogP3.54
Rot. Bonds3

About 5-amino-2-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide

5-amino-2-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide (PubChem CID 144595281) has the molecular formula C15H11F4N5OS and a molecular weight of 385.35 g/mol. Its IUPAC name is 5-amino-2-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-2-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
PubChem CID144595281
Molecular FormulaC15H11F4N5OS
Molecular Weight385.35 g/mol
Exact Mass385.06
IUPAC Name5-amino-2-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCn1cc(NC(=O)c2nc(-c3ccc(C(F)(F)F)cc3F)sc2N)cn1
InChIInChI=1S/C15H11F4N5OS/c1-24-6-8(5-21-24)22-13(25)11-12(20)26-14(23-11)9-3-2-7(4-10(9)16)15(17,18)19/h2-6H,20H2,1H3,(H,22,25)
InChIKeyOEGFVFWMHQCEDA-UHFFFAOYSA-N
XLogP3.54
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.35
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-amino-2-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide (CID 144595281) is 5-amino-2-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-amino-2-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-amino-2-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide is Cn1cc(NC(=O)c2nc(-c3ccc(C(F)(F)F)cc3F)sc2N)cn1.
What is the InChIKey of 5-amino-2-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is OEGFVFWMHQCEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F4N5OS/c1-24-6-8(5-21-24)22-13(25)11-12(20)26-14(23-11)9-3-2-7(4-10(9)16)15(17,18)19/h2-6H,20H2,1H3,(H,22,25).
What are the key properties of 5-amino-2-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
5-amino-2-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 385.35 g/mol, XLogP of 3.54, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 144595281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).